In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 20th, 2011 | 23 | Yes |
Popular Name: 1-(4-pyridyl)-3-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]urea 1-(4-pyridyl)-3-[(1S)-1-([1,2,4]…
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) | 2.11 | 6.29 | -14.34 | 2 | 7 | 0 | 84 | 310.361 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.11 | 6.74 | -41.95 | 3 | 7 | 1 | 85 | 311.369 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.