In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 14th, 2006 | 43 | 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) | 6.44 | 2.41 | -55.82 | 2 | 7 | 1 | 80 | 577.701 | 12 | ↓ |
Mid Mid (pH 6-8) | 5.85 | 2.33 | -66.13 | 1 | 7 | 1 | 77 | 577.701 | 12 | ↓ |