In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 6th, 2010 | 17 | Yes |
Popular Name: (3S)-1-[(1R)-2-amino-1-(4-chlorophenyl)ethyl]piperidin-3-ol (3S)-1-[(1R)-2-amino-1-(4-chloro…
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) | 1.17 | 1.24 | -50.88 | 4 | 3 | 1 | 51 | 255.769 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.17 | 3.36 | -123.05 | 5 | 3 | 2 | 52 | 256.777 | 3 | ↓ |