In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 24th, 2009 | 18 | Yes |
Popular Name: (2R)-2-(4-chlorophenyl)-2-[(3S)-3-ethyl-1-piperidyl]ethanamine (2R)-2-(4-chlorophenyl)-2-[(3S)-…
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) | 3.06 | 7.96 | -126.09 | 4 | 2 | 2 | 32 | 268.832 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.06 | 8.24 | -32.29 | 3 | 2 | 1 | 30 | 267.824 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.06 | 5.85 | -47.74 | 3 | 2 | 1 | 31 | 267.824 | 4 | ↓ |