In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 9th, 2008 | 21 | Yes |
Popular Name: 2-[(1-cyclopropylimidazol-2-yl)sulfanylmethyl]-3H-quinazolin-4-one 2-[(1-cyclopropylimidazol-2-yl)s…
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) | 2.03 | 7.94 | -12.93 | 1 | 5 | 0 | 64 | 298.371 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.48 | 6.88 | -48.66 | 0 | 5 | -1 | 67 | 297.363 | 4 | ↓ |
Lo Low (pH 4.5-6) | 2.03 | 8.39 | -42.71 | 2 | 5 | 1 | 65 | 299.379 | 4 | ↓ |