In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 5th, 2010 | 24 | No |
Popular Name: 2-[(Z)-2-(3-bromo-2-hydroxy-5-nitro-phenyl)vinyl]quinolin-8-ol 2-[(Z)-2-(3-bromo-2-hydroxy-5-ni…
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) | 4.35 | 6.46 | -42.04 | 1 | 6 | -1 | 102 | 386.181 | 3 | ↓ |
Hi High (pH 8-9.5) | 4.35 | 7.18 | -110.84 | 0 | 6 | -2 | 105 | 385.173 | 3 | ↓ |
Mid Mid (pH 6-8) | 4.35 | 5.68 | -12.18 | 2 | 6 | 0 | 99 | 387.189 | 3 | ↓ |