| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2011 | 28 | 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) | 4.57 | 10.35 | -39.15 | 1 | 3 | 1 | 21 | 370.52 | 3 | ↓ |
| Mid Mid (pH 6-8) | 4.57 | 9.35 | -5.83 | 0 | 3 | 0 | 19 | 369.512 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 4.57 | 10.78 | -75.65 | 2 | 3 | 2 | 22 | 371.528 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
