In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 10th, 2011 | 24 | Yes |
Popular Name: 6-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile 6-[3-(3,5-dimethyl-1H-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) | 0.54 | 5.8 | -28.81 | 2 | 7 | 0 | 107 | 323.356 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.44 | 3.83 | -55.04 | 1 | 7 | -1 | 110 | 322.348 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.