In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 5th, 2010 | 31 | 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) | 4.58 | 12.94 | -12.7 | 1 | 6 | 0 | 67 | 423.605 | 3 | ↓ |
Lo Low (pH 4.5-6) | 4.58 | 13.43 | -31.31 | 2 | 6 | 1 | 68 | 424.613 | 3 | ↓ |
Lo Low (pH 4.5-6) | 4.58 | 13.45 | -39.7 | 2 | 6 | 1 | 68 | 424.613 | 3 | ↓ |