In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 31st, 2007 | 38 | 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) | 3.59 | -0.83 | -22.59 | 1 | 7 | 0 | 80 | 507.59 | 6 | ↓ |
Lo Low (pH 4.5-6) | 3.59 | -0.74 | -49.74 | 2 | 7 | 1 | 82 | 508.598 | 6 | ↓ |