In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 5th, 2010 | 18 | Yes |
Popular Name: 4-chloro-2-[[[(1S,2R)-2-methylcyclohexyl]methylamino]methyl]phenol 4-chloro-2-[[[(1S,2R)-2-methylcy…
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) | 4.62 | 6.55 | -41.53 | 3 | 2 | 1 | 37 | 268.808 | 4 | ↓ |
Hi High (pH 8-9.5) | 4.62 | 7.31 | -29.25 | 2 | 2 | 0 | 40 | 267.8 | 4 | ↓ |