In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 6th, 2008 | 24 | Yes |
Popular Name: 6,8-dibromo-2-[[(2-fluorophenyl)methyl-methyl-amino]methyl]-3H-quinazolin-4-one 6,8-dibromo-2-[[(2-fluorophenyl)…
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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) | 3.93 | 9.52 | -57.29 | 2 | 4 | 1 | 50 | 456.133 | 4 | ↓ |
Hi High (pH 8-9.5) | 4.39 | 6.93 | -36.41 | 0 | 4 | -1 | 52 | 454.117 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.93 | 7.98 | -11.3 | 1 | 4 | 0 | 49 | 455.125 | 4 | ↓ |
Mid Mid (pH 6-8) | 4.39 | 9.3 | -35.17 | 1 | 4 | 0 | 53 | 455.125 | 4 | ↓ |