In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 26th, 2008 | 25 | Yes |
Popular Name: 1-methyl-3-[4-(p-tolylmethyl)piperazine-1-carbonyl]pyrazole-4-carboxylic 1-methyl-3-[4-(p-tolylmethyl)pip…
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) | 1.30 | 7.13 | -65.08 | 0 | 7 | -1 | 82 | 341.391 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.30 | 9.46 | -86.26 | 1 | 7 | 0 | 83 | 342.399 | 4 | ↓ |