In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 21st, 2011 | 27 | No |
Popular Name: N-[(1S)-4,4-dimethyltetralin-1-yl]-4-oxo-2-sulfanyl-3H-quinazoline-7-carboxamide N-[(1S)-4,4-dimethyltetralin-1-y…
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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) | 2.78 | 6.9 | -42.46 | 2 | 5 | -1 | 81 | 378.477 | 2 | ↓ |
Mid Mid (pH 6-8) | 2.33 | 8.22 | -14.22 | 3 | 5 | 0 | 78 | 379.485 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.