In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 8th, 2011 | 18 | Yes |
Popular Name: (2S)-2-(4-bromophenyl)-2-(3,3-dimethyl-1-piperidyl)ethanamine (2S)-2-(4-bromophenyl)-2-(3,3-di…
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) | 3.10 | 6.4 | -46.85 | 3 | 2 | 1 | 31 | 312.275 | 3 | ↓ |
Lo Low (pH 4.5-6) | 3.10 | 7.91 | -125.75 | 4 | 2 | 2 | 32 | 313.283 | 3 | ↓ |