In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 10th, 2011 | 28 | Yes |
Popular Name: N-(5-ethoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N'-[(2-fluorophenyl)methyl]butanediamide N-(5-ethoxy-[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) | 2.16 | 8.29 | -18.28 | 2 | 8 | 0 | 101 | 385.399 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.17 | 7.74 | -66.09 | 1 | 8 | -1 | 104 | 384.391 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.