In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 13th, 2008 | 17 | No |
Popular Name: 4-[[(4-methylcyclohexyl)amino]methyl]benzene-1,2-diol 4-[[(4-methylcyclohexyl)amino]me…
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) | 2.21 | 3.45 | -47.6 | 4 | 3 | 1 | 57 | 236.335 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.21 | 4.24 | -70.7 | 3 | 3 | 0 | 60 | 235.327 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.21 | 4.4 | -52.49 | 3 | 3 | 0 | 60 | 235.327 | 3 | ↓ |