In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 1st, 2009 | 15 | 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) | 2.85 | 6.01 | -31.31 | 2 | 2 | 1 | 26 | 217.679 | 2 | ↓ |
Mid Mid (pH 6-8) | 2.85 | 5.59 | -6.77 | 1 | 2 | 0 | 25 | 216.671 | 2 | ↓ |