| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 18th, 2009 | 14 | 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) | -0.02 | 1.12 | -36.95 | 2 | 4 | 1 | 38 | 201.29 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.02 | -0.17 | -4.65 | 1 | 4 | 0 | 34 | 200.282 | 2 | ↓ |
| Lo Low (pH 4.5-6) | -0.02 | 3.36 | -109.17 | 3 | 4 | 2 | 40 | 202.298 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
