In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 2nd, 2010 | 31 | 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) | 4.80 | 11.99 | -16.58 | 1 | 6 | 0 | 67 | 420.557 | 7 | ↓ |
Mid Mid (pH 6-8) | 4.80 | 12.53 | -37.18 | 2 | 6 | 1 | 68 | 421.565 | 7 | ↓ |