In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 14th, 2011 | 21 | Yes |
Popular Name: 1-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-2,3,4,5-tetrahydro-1,4-benzodiazepine 1-(7-methyl-[1,2,4]triazolo[1,5-…
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) | 2.46 | 10.18 | -53.47 | 2 | 5 | 1 | 50 | 280.355 | 1 | ↓ |
Hi High (pH 8-9.5) | 2.46 | 8.93 | -11.4 | 1 | 5 | 0 | 45 | 279.347 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.