In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 20th, 2011 | 25 | Yes |
Popular Name: 7,7-dimethyl-2,5-dioxo-N-(3-pyrazol-1-ylpropyl)-6,8-dihydro-1H-quinoline-3-carboxamide 7,7-dimethyl-2,5-dioxo-N-(3-pyra…
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) | 1.23 | 5.06 | -21.86 | 2 | 7 | 0 | 97 | 342.399 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.69 | 4.38 | -57.6 | 1 | 7 | -1 | 100 | 341.391 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.