In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 22nd, 2010 | 21 | Yes |
Popular Name: (1R,3R)-3-methyl-1-[2-(trifluoromethyl)anilino]cyclohexanecarboxylic (1R,3R)-3-methyl-1-[2-(trifluoro…
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) | 1.89 | 8.98 | -44.68 | 1 | 3 | -1 | 52 | 300.3 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.89 | 7.13 | -4.93 | 2 | 3 | 0 | 49 | 301.308 | 4 | ↓ |
Popular Name: methyl methyl
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) | 3.86 | 6.25 | -7.26 | 3 | 4 | 0 | 64 | 304.312 | 7 | ↓ |
Popular Name: methyl methyl
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) | 3.86 | 6.27 | -7.22 | 3 | 4 | 0 | 64 | 304.312 | 7 | ↓ |
Popular Name: [1-[4-amino-2-(trifluoromethyl)anilino]cyclohexyl]methanol [1-[4-amino-2-(trifluoromethyl)a…
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) | 3.04 | 3.05 | -5.88 | 4 | 3 | 0 | 58 | 288.313 | 4 | ↓ |
Popular Name: [1-[4-amino-2-(trifluoromethyl)anilino]-4-methyl-cyclohexyl]methanol [1-[4-amino-2-(trifluoromethyl)a…
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 | 3.61 | -5.85 | 4 | 3 | 0 | 58 | 302.34 | 4 | ↓ |
Popular Name: [(1R,3S)-1-[4-amino-2-(trifluoromethyl)anilino]-3-methyl-cyclohexyl]methanol [(1R,3S)-1-[4-amino-2-(trifluoro…
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) | 3.04 | 3.59 | -5.61 | 4 | 3 | 0 | 58 | 302.34 | 4 | ↓ |
Popular Name: [(1S,3R)-1-[4-amino-2-(trifluoromethyl)anilino]-3-methyl-cyclohexyl]methanol [(1S,3R)-1-[4-amino-2-(trifluoro…
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) | 3.04 | 3.57 | -5.56 | 4 | 3 | 0 | 58 | 302.34 | 4 | ↓ |
Popular Name: [(1S,3S)-1-[4-amino-2-(trifluoromethyl)anilino]-3-methyl-cyclohexyl]methanol [(1S,3S)-1-[4-amino-2-(trifluoro…
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) | 3.04 | 3.62 | -5.79 | 4 | 3 | 0 | 58 | 302.34 | 4 | ↓ |
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) | 1.44 | 7.15 | -48.49 | 1 | 3 | -1 | 52 | 232.303 | 3 | ↓ |