In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 31st, 2009 | 17 | 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) | 1.19 | 7.39 | -39.9 | 3 | 3 | 1 | 54 | 236.335 | 8 | ↓ |
Hi High (pH 8-9.5) | 1.19 | 7.09 | -5.33 | 2 | 3 | 0 | 52 | 235.327 | 8 | ↓ |