In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 29th, 2006 | 28 | 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) | 1.82 | 5.12 | -21.49 | 0 | 7 | 0 | 89 | 425.576 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.82 | 5.24 | -49.41 | 1 | 7 | 1 | 91 | 426.584 | 5 | ↓ |