| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2010 | 18 | 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) | 1.20 | 5.93 | -47.71 | 3 | 4 | 1 | 48 | 243.334 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.20 | 3.5 | -7.66 | 2 | 4 | 0 | 47 | 242.326 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 1.20 | 6.42 | -95 | 4 | 4 | 2 | 50 | 244.342 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
