In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 6th, 2008 | 19 | Yes |
Popular Name: (2S)-1-[4-(3-chlorophenyl)piperazin-1-yl]-3-methylamino-propan-2-ol (2S)-1-[4-(3-chlorophenyl)pipera…
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) | 1.73 | 1.65 | -38.07 | 3 | 4 | 1 | 43 | 284.811 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.73 | 0.15 | -3.87 | 2 | 4 | 0 | 39 | 283.803 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.73 | 4.04 | -109.43 | 4 | 4 | 2 | 45 | 285.819 | 5 | ↓ |