In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 13th, 2008 | 17 | Yes |
Popular Name: (2R)-2-(4-chlorophenyl)-2-[(2S)-2-methyl-1-piperidyl]ethanamine (2R)-2-(4-chlorophenyl)-2-[(2S)-…
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) | 2.65 | 7.22 | -125.35 | 4 | 2 | 2 | 32 | 254.805 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.65 | 7.1 | -30.59 | 3 | 2 | 1 | 30 | 253.797 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.65 | 5.46 | -50.55 | 3 | 2 | 1 | 31 | 253.797 | 3 | ↓ |