In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 21 | Yes |
None
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) | 3.81 | 6.67 | -44.03 | 1 | 4 | -1 | 73 | 298.705 | 2 | ↓ |
Lo Low (pH 4.5-6) | 3.81 | 6.96 | -36.28 | 2 | 4 | 0 | 74 | 299.713 | 2 | ↓ |