In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 2nd, 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) | 4.14 | 13.43 | -18.21 | 1 | 6 | 0 | 67 | 452.558 | 8 | ↓ |
Mid Mid (pH 6-8) | 4.14 | 13.99 | -37.07 | 2 | 6 | 1 | 68 | 453.566 | 8 | ↓ |