| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 5th, 2010 | 22 | No |
| 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) | -0.68 | 4.63 | -94.7 | 3 | 6 | 0 | 67 | 310.442 | 8 | ↓ |
| Hi High (pH 8-9.5) | -0.68 | 2.54 | -64.76 | 2 | 6 | 0 | 66 | 309.434 | 8 | ↓ |
| Hi High (pH 8-9.5) | -0.68 | 2.58 | -63.05 | 2 | 6 | 0 | 66 | 309.434 | 8 | ↓ |
| Mid Mid (pH 6-8) | -0.68 | 4.76 | -119.2 | 3 | 6 | 0 | 67 | 310.442 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
