In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 12th, 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) | 2.67 | -3.48 | -49.56 | 3 | 8 | 1 | 93 | 399.519 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.67 | -3.26 | -85.71 | 4 | 8 | 2 | 94 | 400.527 | 7 | ↓ |