In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 28th, 2011 | 25 | No |
Popular Name: N-[(2S)-2-(4-chlorophenyl)-2-hydroxy-ethyl]-4-oxo-2-sulfanyl-3H-quinazoline-7-carboxamide N-[(2S)-2-(4-chlorophenyl)-2-hyd…
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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) | 2.09 | 2.5 | -42.32 | 3 | 6 | -1 | 101 | 374.829 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.63 | 3.83 | -16.05 | 4 | 6 | 0 | 98 | 375.837 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.