In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2008 | 19 | Yes |
Popular Name: 4-[(1-ethyl-5-methyl-pyrazol-4-yl)methylamino]benzoic 4-[(1-ethyl-5-methyl-pyrazol-4-y…
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CAS Number: 1006963-91-2
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) | 2.08 | 5.82 | -57.31 | 1 | 5 | -1 | 70 | 258.301 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.08 | 4.71 | -12.58 | 2 | 5 | 0 | 67 | 259.309 | 5 | ↓ |