In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2009 | 18 | Yes |
Popular Name: (3S)-3-[(1-methyl-4-piperidyl)amino]-3-(2-thienyl)propanoic (3S)-3-[(1-methyl-4-piperidyl)am…
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) | 1.52 | 6.87 | -51.91 | 2 | 4 | 0 | 57 | 268.382 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.52 | 7.9 | -72.1 | 3 | 4 | 1 | 61 | 269.39 | 5 | ↓ |