In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 30th, 2008 | 24 | Yes |
Popular Name: 1-benzyl-N-[(3-bromo-4-methoxy-phenyl)methyl]piperidin-4-amine 1-benzyl-N-[(3-bromo-4-methoxy-p…
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) | 4.11 | 11.08 | -120.44 | 3 | 3 | 2 | 30 | 391.353 | 6 | ↓ |
Hi High (pH 8-9.5) | 4.11 | 9.8 | -41.64 | 2 | 3 | 1 | 26 | 390.345 | 6 | ↓ |
Lo Low (pH 4.5-6) | 4.11 | 8.78 | -46.76 | 2 | 3 | 1 | 29 | 390.345 | 6 | ↓ |