In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 15th, 2007 | 36 | Yes |
None
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) | 1.61 | 3.85 | -63.85 | 6 | 13 | -1 | 201 | 498.52 | 10 | ↓ |
Lo Low (pH 4.5-6) | 1.61 | -11.35 | -75.4 | 7 | 13 | 0 | 201 | 499.528 | 10 | ↓ |
Lo Low (pH 4.5-6) | 1.61 | -11.39 | -75.96 | 7 | 13 | 0 | 201 | 499.528 | 10 | ↓ |