In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 13th, 2008 | 17 | Yes |
Popular Name: (2R)-2-(4-fluorophenyl)-2-[(2S)-2-methyl-1-piperidyl]ethanamine (2R)-2-(4-fluorophenyl)-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) | 2.13 | 6.77 | -126.25 | 4 | 2 | 2 | 32 | 238.35 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.13 | 6.65 | -31.42 | 3 | 2 | 1 | 30 | 237.342 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.13 | 5.01 | -51.65 | 3 | 2 | 1 | 31 | 237.342 | 3 | ↓ |