In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 30th, 2010 | 20 | 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) | 1.79 | 5.92 | -126.79 | 4 | 4 | 2 | 51 | 280.412 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.79 | 6.19 | -34.93 | 3 | 4 | 1 | 49 | 279.404 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.79 | 4.38 | -48.5 | 3 | 4 | 1 | 49 | 279.404 | 5 | ↓ |