| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 20th, 2011 | 23 | No |
Popular Name: 4-oxo-N-[(1R)-1-(4-pyridyl)ethyl]-2-sulfanyl-3H-quinazoline-7-carboxamide 4-oxo-N-[(1R)-1-(4-pyridyl)ethyl…
None
| 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) | 1.27 | 3.44 | -41.69 | 2 | 6 | -1 | 94 | 325.373 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.81 | 4.76 | -15.76 | 3 | 6 | 0 | 91 | 326.381 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.81 | 5.22 | -53.24 | 4 | 6 | 1 | 92 | 327.389 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
