In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 4th, 2009 | 36 | Yes |
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) | 0.79 | 6.99 | -56.97 | 5 | 11 | 1 | 138 | 500.624 | 9 | ↓ |
Hi High (pH 8-9.5) | 0.79 | 6.99 | -58.08 | 5 | 11 | 1 | 138 | 500.624 | 9 | ↓ |
Hi High (pH 8-9.5) | 0.79 | 4.97 | -29.55 | 4 | 11 | 0 | 137 | 499.616 | 9 | ↓ |