In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 21st, 2005 | 31 | 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) | 5.27 | -1.67 | -58.1 | 2 | 4 | 1 | 46 | 431.943 | 1 | ↓ |
Lo Low (pH 4.5-6) | 5.27 | -1.62 | -103.63 | 3 | 4 | 2 | 48 | 432.951 | 1 | ↓ |