In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 13th, 2009 | 31 | Yes |
Popular Name: 1-[(4-chlorophenyl)methyl]-4-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propyl]piperazine 1-[(4-chlorophenyl)methyl]-4-[3-…
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) | 4.58 | 12.63 | -97.72 | 2 | 4 | 2 | 15 | 463.497 | 8 | ↓ |
Hi High (pH 8-9.5) | 4.58 | 8.1 | -4.02 | 0 | 4 | 0 | 13 | 461.481 | 8 | ↓ |
Mid Mid (pH 6-8) | 4.58 | 10.37 | -40.69 | 1 | 4 | 1 | 14 | 462.489 | 8 | ↓ |
Mid Mid (pH 6-8) | 4.58 | 12.65 | -113.43 | 2 | 4 | 2 | 15 | 463.497 | 8 | ↓ |