In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 15th, 2008 | 29 | 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) | 2.46 | 8.33 | -44.99 | 1 | 7 | 1 | 59 | 411.555 | 2 | ↓ |
Mid Mid (pH 6-8) | 2.46 | 5.85 | -9.29 | 0 | 7 | 0 | 58 | 410.547 | 2 | ↓ |