| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 13th, 2011 | 20 | 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) | 1.97 | 8.21 | -41.66 | 3 | 2 | 1 | 41 | 328.233 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.97 | 7.88 | -7.35 | 2 | 2 | 0 | 39 | 327.225 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.97 | 8.64 | -87.7 | 4 | 2 | 2 | 42 | 329.241 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
