In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 24th, 2008 | 15 | Yes |
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) | -0.91 | 5.6 | -53.63 | 3 | 3 | 1 | 45 | 200.265 | 1 | ↓ |
Hi High (pH 8-9.5) | -0.91 | 5.29 | -6.06 | 2 | 3 | 0 | 44 | 199.257 | 1 | ↓ |
Mid Mid (pH 6-8) | -0.91 | 6.08 | -110.85 | 4 | 3 | 2 | 47 | 201.273 | 1 | ↓ |