In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 29 | 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) | 4.69 | 8.99 | -9.63 | 0 | 5 | 0 | 56 | 452.304 | 3 | ↓ |
Lo Low (pH 4.5-6) | 4.69 | 11.84 | -48.55 | 1 | 5 | 1 | 57 | 453.312 | 3 | ↓ |