In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 5th, 2008 | 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) | 1.09 | -0.17 | -74.49 | 2 | 10 | 1 | 101 | 496.588 | 10 | ↓ |
Mid Mid (pH 6-8) | 1.09 | 0.11 | -121.01 | 3 | 10 | 2 | 102 | 497.596 | 10 | ↓ |