In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 28th, 2009 | 33 | 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) | 3.00 | 6.2 | -13.35 | 1 | 8 | 0 | 94 | 446.507 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.00 | 8.19 | -61.14 | 2 | 8 | 1 | 95 | 447.515 | 6 | ↓ |