In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2009 | 17 | Yes |
Popular Name: 3,5-Dimethyl-1-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxylic acid 3,5-Dimethyl-1-(pyridin-3-ylmeth…
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CAS Number: 1154898-74-4
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) | 0.69 | 5.88 | -51.23 | 0 | 5 | -1 | 71 | 230.247 | 3 | ↓ |
Lo Low (pH 4.5-6) | 0.69 | 5.96 | -41.87 | 1 | 5 | 0 | 72 | 231.255 | 3 | ↓ |