In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 21st, 2009 | 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) | 1.18 | 5.76 | -52.76 | 2 | 10 | 1 | 104 | 508.684 | 12 | ↓ |
Mid Mid (pH 6-8) | 1.18 | 3.45 | -13.48 | 1 | 10 | 0 | 103 | 507.676 | 12 | ↓ |