In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 20th, 2011 | 23 | Yes |
Popular Name: 6-ethyl-4-[4-(1,2,4-triazol-1-yl)-1-piperidyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine 6-ethyl-4-[4-(1,2,4-triazol-1-yl…
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) | 0.38 | 11.13 | -48.4 | 1 | 7 | 1 | 64 | 314.417 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.38 | 8.87 | -8.94 | 0 | 7 | 0 | 63 | 313.409 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.