In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 12th, 2010 | 21 | 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) | 3.66 | 7.75 | -95.34 | 4 | 4 | 2 | 50 | 297.487 | 6 | ↓ |
Hi High (pH 8-9.5) | 3.85 | 6.08 | -40.68 | 3 | 4 | 1 | 56 | 296.479 | 6 | ↓ |