In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 9th, 2008 | 20 | Yes |
Popular Name: 4-(1,1-dimethylpropyl)-N-[(1S)-1-(3-pyridyl)ethyl]cyclohexan-1-amine 4-(1,1-dimethylpropyl)-N-[(1S)-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) | 4.16 | 9.52 | -39.69 | 2 | 2 | 1 | 29 | 275.46 | 5 | ↓ |
Lo Low (pH 4.5-6) | 4.16 | 9.95 | -107.25 | 3 | 2 | 2 | 31 | 276.468 | 5 | ↓ |