| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 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) | 0.41 | 1.39 | -40.58 | 3 | 3 | 1 | 44 | 206.313 | 1 | ↓ |
| Hi High (pH 8-9.5) | 0.41 | 1.25 | -2.98 | 2 | 3 | 0 | 42 | 205.305 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 0.41 | 3.64 | -110.76 | 4 | 3 | 2 | 45 | 207.321 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 0.41 | 3.49 | -36.31 | 3 | 3 | 1 | 43 | 206.313 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
