In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 10th, 2010 | 19 | Yes |
Popular Name: 1-[(1R,2R)-2-amino-1-(5-bromo-2-thienyl)propyl]piperidine-4-carboxamide 1-[(1R,2R)-2-amino-1-(5-bromo-2-…
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) | 1.47 | 1.65 | -44.12 | 5 | 4 | 1 | 74 | 347.302 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.47 | 1.29 | -7.65 | 4 | 4 | 0 | 72 | 346.294 | 4 | ↓ |