In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 21st, 2008 | 37 | 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) | 2.47 | 7.17 | -61.99 | 0 | 9 | -1 | 101 | 507.563 | 9 | ↓ |
Mid Mid (pH 6-8) | 2.47 | 9.44 | -80.97 | 1 | 9 | 0 | 102 | 508.571 | 9 | ↓ |