In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 23rd, 2010 | 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) | 5.55 | 12.49 | -62.1 | 0 | 6 | -1 | 83 | 478.952 | 9 | ↓ |
Mid Mid (pH 6-8) | 5.55 | 11.74 | -15.68 | 1 | 6 | 0 | 80 | 479.96 | 9 | ↓ |