In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 35 | 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) | 7.25 | 14.16 | -8.61 | 0 | 4 | 0 | 43 | 467.609 | 6 | ↓ |
Lo Low (pH 4.5-6) | 7.25 | 16.99 | -51.09 | 1 | 4 | 1 | 44 | 468.617 | 6 | ↓ |