In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 11th, 2008 | 25 | Yes |
Popular Name: (2S)-1-phenyl-3-[4-(3-phenylpropyl)piperazin-1-yl]propan-2-amine (2S)-1-phenyl-3-[4-(3-phenylprop…
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) | 3.22 | 10.73 | -105.39 | 4 | 3 | 2 | 35 | 339.527 | 8 | ↓ |
Mid Mid (pH 6-8) | 3.22 | 10.35 | -132.97 | 4 | 3 | 2 | 35 | 339.527 | 8 | ↓ |
Mid Mid (pH 6-8) | 3.22 | 8.42 | -43.48 | 3 | 3 | 1 | 34 | 338.519 | 8 | ↓ |