In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 4th, 2010 | 30 | 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) | 2.19 | 5.03 | -15.15 | 1 | 8 | 0 | 82 | 429.908 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.19 | 7.3 | -54.44 | 2 | 8 | 1 | 83 | 430.916 | 6 | ↓ |