In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 1st, 2008 | 23 | Yes |
Popular Name: (1S)-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]cyclohex-3-ene-1-carboxamide (1S)-N-ethyl-N-[(4-oxo-3H-quinaz…
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) | 2.39 | 8.39 | -14.75 | 1 | 5 | 0 | 66 | 311.385 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.85 | 5.76 | -50.92 | 0 | 5 | -1 | 69 | 310.377 | 4 | ↓ |