| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 5th, 2004 | 27 | No |
Popular Name: 3-cyclopentyl-4-keto-N-[(1S,2R)-2-methylcyclohexyl]-2-thioxo-1H-quinazoline-7-carboxamide 3-cyclopentyl-4-keto-N-[(1S,2R)-…
| 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) | 4.48 | 10.65 | -43.74 | 1 | 5 | -1 | 64 | 384.525 | 3 | ↓ |
| Hi High (pH 8-9.5) | 4.28 | 7.45 | -35.73 | 1 | 5 | -1 | 73 | 384.525 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.82 | 9.45 | -48.15 | 3 | 5 | 1 | 72 | 386.541 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.75 | 10.93 | -11.25 | 2 | 5 | 0 | 67 | 385.533 | 3 | ↓ |
