| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 23rd, 2008 | 11 | 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) | -0.17 | -4.25 | -8.93 | 3 | 4 | 0 | 77 | 154.169 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.63 | -2.3 | -48.26 | 4 | 4 | 1 | 83 | 155.177 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.17 | -3.53 | -16.93 | 3 | 4 | 0 | 81 | 154.169 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.80 | -2.27 | -40.32 | 1 | 4 | -1 | 76 | 153.161 | 2 | ↓ |
| Lo Low (pH 4.5-6) | -0.17 | -4.31 | -33.68 | 4 | 4 | 1 | 78 | 155.177 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.