In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 30th, 2009 | 33 | No |
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) | -0.28 | -2.77 | -56.15 | 6 | 12 | -1 | 206 | 463.371 | 4 | ↓ |
Hi High (pH 8-9.5) | -0.28 | -1.78 | -126.55 | 5 | 12 | -2 | 209 | 462.363 | 4 | ↓ |