| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 13th, 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) | 1.79 | 5.19 | -53.77 | 2 | 3 | 1 | 34 | 202.281 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.79 | 3.5 | -7.6 | 1 | 3 | 0 | 30 | 201.273 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 1.79 | 5.62 | -95.22 | 3 | 3 | 2 | 36 | 203.289 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
