| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 26th, 2010 | 20 | No |
Popular Name: 3-[(3S)-1-isopropylpyrrolidin-3-yl]-2-thioxo-1H-quinazolin-4-one 3-[(3S)-1-isopropylpyrrolidin-3-…
| 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) | 2.59 | 8.48 | -37.23 | 1 | 4 | 0 | 39 | 289.404 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.86 | 8.75 | -32.62 | 2 | 4 | 1 | 42 | 290.412 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
