In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 21st, 2009 | 21 | Yes |
Popular Name: (2S)-N-[(3-bromo-4-methoxy-phenyl)methyl]-2-methyl-3-(1-piperidyl)propan-1-amine (2S)-N-[(3-bromo-4-methoxy-pheny…
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) | 3.97 | 9.88 | -112.04 | 3 | 3 | 2 | 30 | 357.336 | 7 | ↓ |
Hi High (pH 8-9.5) | 3.97 | 7.94 | -46.48 | 2 | 3 | 1 | 29 | 356.328 | 7 | ↓ |