In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 17th, 2009 | 36 | 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) | 4.23 | 11.45 | -53.76 | 0 | 7 | -1 | 92 | 485.56 | 10 | ↓ |
Lo Low (pH 4.5-6) | 4.23 | 10.15 | -18.67 | 1 | 7 | 0 | 89 | 486.568 | 10 | ↓ |
Lo Low (pH 4.5-6) | 4.23 | 10.6 | -51.4 | 2 | 7 | 1 | 90 | 487.576 | 10 | ↓ |