| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 22nd, 2008 | 27 | 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) | 3.20 | 10.3 | -33.31 | 1 | 5 | 1 | 39 | 388.919 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.19 | 8.28 | -5.31 | 0 | 5 | 0 | 38 | 387.911 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.20 | 8.38 | -36.31 | 1 | 5 | 1 | 39 | 388.919 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.20 | 8.82 | -96.78 | 2 | 5 | 2 | 40 | 389.927 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.