In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 10th, 2011 | 23 | Yes |
Popular Name: 1-(5-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-[(3-methoxyphenyl)methyl]urea 1-(5-chloro-[1,2,4]triazolo[4,3-…
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) | 2.83 | 8.61 | -19.97 | 2 | 7 | 0 | 81 | 331.763 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.46 | 6.96 | -58.58 | 1 | 7 | -1 | 87 | 330.755 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.