In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 2nd, 2010 | 36 | Yes |
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) | 6.06 | 17.3 | -16.68 | 0 | 5 | 0 | 47 | 481.64 | 9 | ↓ |
Mid Mid (pH 6-8) | 6.06 | 17.84 | -44.35 | 1 | 5 | 1 | 49 | 482.648 | 9 | ↓ |