| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 5th, 2004 | 28 | No |
Popular Name: 3-(3-ethoxypropyl)-4-keto-7-[[(1S,2S)-2-methylcyclohexyl]carbamoyl]quinazoline-2-thiolate 3-(3-ethoxypropyl)-4-keto-7-[[(1…
| 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) | 3.71 | 9.36 | -44.59 | 1 | 6 | -1 | 73 | 402.54 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.51 | 5.77 | -37.9 | 1 | 6 | -1 | 83 | 402.54 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.99 | 9.66 | -13.48 | 2 | 6 | 0 | 76 | 403.548 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.05 | 8.33 | -48.8 | 3 | 6 | 1 | 81 | 404.556 | 7 | ↓ |
