In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 27th, 2009 | 29 | Yes |
Popular Name: 4-(azepan-1-yl)-6-[2-(benzenesulfonyl)ethyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine 4-(azepan-1-yl)-6-[2-(benzenesul…
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 | 9.61 | -121.41 | 2 | 6 | 2 | 69 | 416.591 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.46 | 6.87 | -12.97 | 0 | 6 | 0 | 66 | 414.575 | 5 | ↓ |