In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 17th, 2011 | 26 | No |
Popular Name: N-cyclohexyl-3-ethyl-4-oxo-N-prop-2-ynyl-2-sulfanyl-quinazoline-7-carboxamide N-cyclohexyl-3-ethyl-4-oxo-N-pro…
None
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) | 2.88 | 9.35 | -36.82 | 0 | 5 | -1 | 61 | 368.482 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.42 | 10.64 | -10.8 | 1 | 5 | 0 | 58 | 369.49 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.