In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 4th, 2008 | 32 | 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) | 3.44 | 9.2 | -16.75 | 2 | 6 | 0 | 77 | 448.544 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.70 | 6.14 | -42.95 | 3 | 6 | 1 | 85 | 449.552 | 7 | ↓ |