In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 9th, 2010 | 37 | 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) | 4.67 | 9.69 | -41.52 | 3 | 8 | 1 | 86 | 500.575 | 6 | ↓ |
Mid Mid (pH 6-8) | 4.67 | 7.63 | -18.62 | 2 | 8 | 0 | 85 | 499.567 | 6 | ↓ |