In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 5th, 2009 | 26 | No |
Popular Name: [4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(3-methyl-2-nitro-phenyl)methanone [4-[(3-chlorophenyl)methyl]piper…
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) | 3.16 | 9.81 | -18.26 | 0 | 6 | 0 | 69 | 373.84 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.16 | 12.14 | -59.23 | 1 | 6 | 1 | 71 | 374.848 | 4 | ↓ |