In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 10th, 2008 | 16 | 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) | -0.89 | 1.11 | -43.72 | 2 | 5 | 1 | 49 | 228.316 | 2 | ↓ |
Hi High (pH 8-9.5) | -0.89 | -0.48 | -8.98 | 1 | 5 | 0 | 45 | 227.308 | 2 | ↓ |
Mid Mid (pH 6-8) | -0.89 | 1.65 | -40.62 | 2 | 5 | 1 | 46 | 228.316 | 2 | ↓ |
Lo Low (pH 4.5-6) | -0.89 | 3.05 | -114.43 | 3 | 5 | 2 | 51 | 229.324 | 2 | ↓ |