In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 17th, 2008 | 32 | No |
None
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 | 11 | -41.4 | 1 | 7 | 0 | 86 | 447.564 | 6 | ↓ |
Hi High (pH 8-9.5) | 3.93 | 8.79 | -46.84 | 0 | 7 | -1 | 85 | 446.556 | 6 | ↓ |
Mid Mid (pH 6-8) | 4.11 | 9.74 | -20.99 | 1 | 7 | 0 | 78 | 447.564 | 6 | ↓ |