In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 13th, 2011 | 32 | Yes |
Popular Name: 5-(4-chlorophenyl)-N-[3-(4-ethylpiperazin-1-yl)propyl]-2-phenyl-pyrazole-3-carboxamide 5-(4-chlorophenyl)-N-[3-(4-ethyl…
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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) | 4.01 | 10.96 | -44.84 | 2 | 6 | 1 | 55 | 453.01 | 8 | ↓ |
Hi High (pH 8-9.5) | 4.01 | 8.68 | -11.66 | 1 | 6 | 0 | 53 | 452.002 | 8 | ↓ |
Hi High (pH 8-9.5) | 4.01 | 10.96 | -50.73 | 2 | 6 | 1 | 55 | 453.01 | 8 | ↓ |