In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 16 | No |
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) | 2.13 | 4.92 | -9.49 | 2 | 3 | 0 | 52 | 227.292 | 1 | ↓ |
Lo Low (pH 4.5-6) | 2.13 | 5.26 | -35.35 | 3 | 3 | 1 | 53 | 228.3 | 1 | ↓ |