In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 5th, 2010 | 18 | Yes |
Popular Name: 1-[(1R,2R)-2-amino-1-(4-fluorophenyl)propyl]piperidin-4-ol 1-[(1R,2R)-2-amino-1-(4-fluoroph…
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) | 0.32 | 3.49 | -124.53 | 5 | 3 | 2 | 52 | 254.349 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.32 | 3.18 | -39.05 | 4 | 3 | 1 | 51 | 253.341 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.32 | 2.03 | -47.94 | 4 | 3 | 1 | 51 | 253.341 | 3 | ↓ |