In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 29th, 2008 | 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) | 1.45 | 4.43 | -46.39 | 2 | 3 | 1 | 44 | 216.308 | 2 | ↓ |
Hi High (pH 8-9.5) | 1.45 | 3.01 | -6.57 | 1 | 3 | 0 | 39 | 215.3 | 2 | ↓ |