In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 18th, 2011 | 26 | Yes |
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) | 5.88 | 11.28 | -34.35 | 2 | 4 | 1 | 50 | 356.534 | 10 | ↓ |
Hi High (pH 8-9.5) | 5.88 | 9.3 | -15.53 | 1 | 4 | 0 | 48 | 355.526 | 10 | ↓ |
Lo Low (pH 4.5-6) | 5.88 | 12.27 | -90.23 | 3 | 4 | 2 | 51 | 357.542 | 10 | ↓ |