In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 2nd, 2010 | 36 | 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) | 3.86 | 4.54 | -15.51 | 1 | 9 | 0 | 113 | 507.568 | 9 | ↓ |
Lo Low (pH 4.5-6) | 3.86 | 5.01 | -50.17 | 2 | 9 | 1 | 114 | 508.576 | 9 | ↓ |