In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 17th, 2010 | 21 | Yes |
Popular Name: (2S)-1-(cyclohexoxy)-3-[[(1R,3R)-1-(hydroxymethyl)-3-methyl-cyclohexyl]amino]propan-2-ol (2S)-1-(cyclohexoxy)-3-[[(1R,3R)…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 2.69 | 3.11 | -34.71 | 4 | 4 | 1 | 66 | 300.463 | 7 | ↓ |
Popular Name: 1-cyclohexylamino-3-(1,7,7-trimethylnorbornan-2-yl)oxy-propan-2-ol 1-cyclohexylamino-3-(1,7,7-trime…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 4.01 | -2.39 | -38.71 | 3 | 3 | 1 | 46 | 310.502 | 6 | ↓ |
Popular Name: 1-cyclohexylamino-3-(1,7,7-trimethylnorbornan-2-yl)oxy-propan-2-ol 1-cyclohexylamino-3-(1,7,7-trime…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 4.01 | -2.17 | -38.8 | 3 | 3 | 1 | 46 | 310.502 | 6 | ↓ |
Popular Name: (2R)-1-(cyclohexylamino)-3-[(1R,2R,4R)-1,7,7-trimethylnorbornan-2-yl]oxy-propan-2-ol (2R)-1-(cyclohexylamino)-3-[(1R,…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 4.01 | 7.05 | -38.69 | 3 | 3 | 1 | 46 | 310.502 | 6 | ↓ |
Popular Name: (2S)-1-(cyclohexylamino)-3-[(1R,2S,4R)-1,7,7-trimethylnorbornan-2-yl]oxy-propan-2-ol (2S)-1-(cyclohexylamino)-3-[(1R,…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 4.01 | -2.33 | -38.66 | 3 | 3 | 1 | 46 | 310.502 | 6 | ↓ |
Popular Name: (2R)-1-(cyclohexylamino)-3-[(1S,2R,4S)-1,7,7-trimethylnorbornan-2-yl]oxy-propan-2-ol (2R)-1-(cyclohexylamino)-3-[(1S,…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 4.01 | 6.87 | -38.75 | 3 | 3 | 1 | 46 | 310.502 | 6 | ↓ |
Popular Name: (2S)-1-(cyclohexylamino)-3-[(1S,2S,4S)-1,7,7-trimethylnorbornan-2-yl]oxy-propan-2-ol (2S)-1-(cyclohexylamino)-3-[(1S,…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 4.01 | -2.13 | -38.76 | 3 | 3 | 1 | 46 | 310.502 | 6 | ↓ |
Popular Name: (2R)-1-(4-tert-butylcyclohexoxy)-3-(cyclopentylamino)propan-2-ol (2R)-1-(4-tert-butylcyclohexoxy)…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 3.84 | 6.61 | -38.57 | 3 | 3 | 1 | 46 | 298.491 | 7 | ↓ |
Popular Name: (2S)-1-(4-tert-butylcyclohexoxy)-3-(cyclopentylamino)propan-2-ol (2S)-1-(4-tert-butylcyclohexoxy)…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 3.84 | 6.77 | -38.15 | 3 | 3 | 1 | 46 | 298.491 | 7 | ↓ |
Popular Name: (2R)-1-(cyclopentylamino)-3-[(1R,2R,4R)-1,7,7-trimethylnorbornan-2-yl]oxy-propan-2-ol (2R)-1-(cyclopentylamino)-3-[(1R…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 3.50 | 6.59 | -38.23 | 3 | 3 | 1 | 46 | 296.475 | 6 | ↓ |