In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 29th, 2009 | 17 | Yes |
Popular Name: (2R)-3-[(1S,2S,5R)-2-isopropyl-5-methyl-cyclohexoxy]-2-methyl-propane-1,2-diol (2R)-3-[(1S,2S,5R)-2-isopropyl-5…
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) | 3.12 | 3.06 | -5.79 | 2 | 3 | 0 | 50 | 244.375 | 5 | ↓ |
Popular Name: (R)-[(2S,3S)-3-tert-butyloxiran-2-yl]-cyclohexyl-methanol (R)-[(2S,3S)-3-tert-butyloxiran-…
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) | 3.48 | 5.13 | -2.86 | 1 | 2 | 0 | 33 | 212.333 | 3 | ↓ |
Popular Name: (R)-[(2R,3R)-3-tert-butyloxiran-2-yl]-cyclohexyl-methanol (R)-[(2R,3R)-3-tert-butyloxiran-…
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) | 3.48 | 4.11 | -3.67 | 1 | 2 | 0 | 33 | 212.333 | 3 | ↓ |
Popular Name: (R)-[(2S,3R)-3-tert-butyloxiran-2-yl]-cyclohexyl-methanol (R)-[(2S,3R)-3-tert-butyloxiran-…
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) | 3.48 | 4.33 | -4.1 | 1 | 2 | 0 | 33 | 212.333 | 3 | ↓ |
Popular Name: (R)-[(2R,3S)-3-tert-butyloxiran-2-yl]-cyclohexyl-methanol (R)-[(2R,3S)-3-tert-butyloxiran-…
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) | 3.48 | 4.44 | -3.58 | 1 | 2 | 0 | 33 | 212.333 | 3 | ↓ |
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) | 2.81 | -3.31 | -6.68 | 2 | 4 | 0 | 58 | 338.488 | 1 | ↓ |
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) | 2.81 | -3.34 | -5.24 | 2 | 4 | 0 | 58 | 338.488 | 1 | ↓ |