In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 19th, 2011 | 30 | Yes |
Popular Name: [3-(2,5-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]-(4-methylpiperazin-1-yl)methanone [3-(2,5-dimethoxyphenyl)-1-pheny…
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) | 2.16 | 7.47 | -16.39 | 0 | 7 | 0 | 60 | 406.486 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.16 | 9.8 | -51.74 | 1 | 7 | 1 | 61 | 407.494 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.