In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 18th, 2009 | 28 | 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) | 2.05 | 8.07 | -34.49 | 3 | 9 | 1 | 108 | 386.432 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.05 | 7.81 | -18.7 | 2 | 9 | 0 | 107 | 385.424 | 7 | ↓ |