In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 29th, 2009 | 33 | 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) | 7.52 | 12.25 | -8.53 | 0 | 5 | 0 | 46 | 501.332 | 9 | ↓ |
Mid Mid (pH 6-8) | 7.52 | 12.41 | -33.4 | 1 | 5 | 1 | 47 | 502.34 | 9 | ↓ |