In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 30th, 2009 | 32 | 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) | -2.59 | 1.73 | -128.51 | 11 | 12 | 1 | 219 | 458.584 | 16 | ↓ |
Hi High (pH 8-9.5) | -2.59 | 1.4 | -76.04 | 10 | 12 | 0 | 217 | 457.576 | 16 | ↓ |
Mid Mid (pH 6-8) | -2.72 | 1.49 | -71.62 | 10 | 12 | 0 | 219 | 457.576 | 15 | ↓ |