In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 25th, 2004 | 32 | Yes |
Popular Name: 2-[benzyl-[2-(4-chlorophenyl)-5-(2-furyl)pyrazole-3-carbonyl]amino]ethyl-dimethyl-ammonium 2-[benzyl-[2-(4-chlorophenyl)-5-…
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) | 4.26 | 13.62 | -56.6 | 1 | 6 | 1 | 56 | 449.962 | 8 | ↓ |
Hi High (pH 8-9.5) | 4.26 | 11.09 | -10.01 | 0 | 6 | 0 | 55 | 448.954 | 8 | ↓ |