In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 14th, 2010 | 26 | No |
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) | 1.94 | 4.23 | -16.28 | 0 | 7 | 0 | 89 | 386.82 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.94 | 4.71 | -50.15 | 1 | 7 | 1 | 90 | 387.828 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.94 | 4.7 | -50.26 | 1 | 7 | 1 | 90 | 387.828 | 4 | ↓ |