In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 32 | No |
None
None
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) | 2.85 | 5.3 | -19.37 | 0 | 7 | 0 | 80 | 454.548 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.85 | 6.07 | -58.44 | 1 | 7 | 0 | 81 | 455.556 | 3 | ↓ |