In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 31st, 2011 | 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) | 3.26 | 8.51 | -31.7 | 1 | 2 | 1 | 14 | 220.336 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.26 | 6.35 | -3.54 | 0 | 2 | 0 | 12 | 219.328 | 4 | ↓ |