In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2009 | 25 | No |
Popular Name: 3-(4-oxo-2-thioxo-1H-quinazolin-3-yl)-N-[(1R)-1-(2-pyridyl)ethyl]propanamide 3-(4-oxo-2-thioxo-1H-quinazolin-…
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) | 1.20 | 7.57 | -15.85 | 2 | 6 | 0 | 80 | 354.435 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.93 | 7.26 | -45.53 | 1 | 6 | -1 | 77 | 353.427 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.20 | 7.75 | -42.06 | 3 | 6 | 1 | 81 | 355.443 | 5 | ↓ |