In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 12th, 2008 | 30 | Yes |
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) | 1.80 | 0.9 | -41.05 | 1 | 6 | 1 | 56 | 410.538 | 6 | ↓ |
Lo Low (pH 4.5-6) | 1.80 | 0.92 | -106.49 | 2 | 6 | 2 | 57 | 411.546 | 6 | ↓ |