In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2009 | 17 | Yes |
Popular Name: 3,5-Dimethyl-1-(pyridin-4-ylmethyl)-1H-pyrazole-4-carboxylic acid 3,5-Dimethyl-1-(pyridin-4-ylmeth…
Find On: PubMed — Wikipedia — Google
CAS Number: 1153371-63-1
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) | 0.64 | 5.9 | -50.35 | 0 | 5 | -1 | 71 | 230.247 | 3 | ↓ |
Lo Low (pH 4.5-6) | 0.64 | 6.36 | -67.88 | 1 | 5 | 0 | 72 | 231.255 | 3 | ↓ |