In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 30th, 2007 | 35 | 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) | 5.87 | 8.89 | -16.36 | 0 | 9 | 0 | 90 | 488.477 | 3 | ↓ |
Ref Reference (pH 7) | 5.87 | 7.67 | -12.25 | 0 | 9 | 0 | 90 | 488.477 | 3 | ↓ |
Lo Low (pH 4.5-6) | 5.87 | 9.25 | -35.47 | 1 | 9 | 1 | 91 | 489.485 | 3 | ↓ |
Lo Low (pH 4.5-6) | 5.87 | 8.17 | -38.19 | 1 | 9 | 1 | 91 | 489.485 | 3 | ↓ |