In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 16th, 2009 | 26 | 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) | 2.16 | 0.83 | -51.65 | 1 | 8 | -1 | 108 | 350.358 | 3 | ↓ |
Ref Reference (pH 7) | 1.98 | 3.58 | -46.85 | 1 | 8 | -1 | 105 | 350.358 | 3 | ↓ |
Lo Low (pH 4.5-6) | 1.71 | 2.72 | -11.95 | 2 | 8 | 0 | 105 | 351.366 | 3 | ↓ |
Lo Low (pH 4.5-6) | 1.52 | 5.4 | -11.4 | 2 | 8 | 0 | 102 | 351.366 | 3 | ↓ |