In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 16th, 2010 | 30 | Yes |
Popular Name: (1-ethyl-3,5-dimethyl-pyrazol-4-yl)-indan-2-yl-BLAHone (1-ethyl-3,5-dimethyl-pyrazol-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) | 3.08 | 12.39 | -41.25 | 1 | 5 | 1 | 43 | 405.566 | 3 | ↓ |
Lo Low (pH 4.5-6) | 3.08 | 12.53 | -94.69 | 2 | 5 | 2 | 44 | 406.574 | 3 | ↓ |