In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 27th, 2010 | 24 | 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) | 3.50 | 6.85 | -7.08 | 1 | 5 | 0 | 53 | 347.484 | 2 | ↓ |
Lo Low (pH 4.5-6) | 3.50 | 8.87 | -31.9 | 2 | 5 | 1 | 54 | 348.492 | 2 | ↓ |