In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 5th, 2010 | 27 | 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) | 2.58 | 2.09 | -20.35 | 3 | 9 | 0 | 119 | 388.405 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.77 | -0.55 | -51.94 | 2 | 9 | -1 | 125 | 387.397 | 5 | ↓ |