In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 8th, 2004 | 22 | Yes |
Popular Name: 12-keto-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxylic-acid-cyanomethyl-ester 12-keto-7,8,9,10-tetrahydro-6H-a…
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) | 2.18 | 8.22 | -13.03 | 0 | 6 | 0 | 85 | 297.314 | 3 | ↓ |