In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 10th, 2011 | 19 | No |
Popular Name: 2-isothiocyanato-7,8,9,10-tetrahydroazepino[2,1-b]quinazolin-12(6H)-one 2-isothiocyanato-7,8,9,10-tetrah…
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) | 3.59 | 7.56 | -11.15 | 0 | 4 | 0 | 47 | 271.345 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.