In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 3rd, 2010 | 36 | 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) | 2.83 | 10.6 | -101.23 | 4 | 7 | 2 | 74 | 497.728 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.83 | 8.24 | -53.87 | 3 | 7 | 1 | 72 | 496.72 | 5 | ↓ |