In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 22nd, 2008 | 34 | No |
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) | -0.06 | 7.53 | -38.1 | 5 | 9 | 0 | 157 | 459.458 | 5 | ↓ |
Hi High (pH 8-9.5) | -0.06 | 8.36 | -59.45 | 4 | 9 | -1 | 160 | 458.45 | 5 | ↓ |
Mid Mid (pH 6-8) | -0.06 | 5.87 | -60.79 | 4 | 9 | -1 | 153 | 458.45 | 5 | ↓ |