In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 21st, 2009 | 16 | 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) | 2.53 | 6.57 | -114.39 | 4 | 2 | 2 | 32 | 226.408 | 1 | ↓ |
Hi High (pH 8-9.5) | 2.53 | 6.16 | -26.83 | 3 | 2 | 1 | 30 | 225.4 | 1 | ↓ |