| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 20th, 2009 | 29 | 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) | -0.06 | 9.22 | -106.61 | 2 | 7 | 0 | 91 | 411.38 | 5 | ↓ |
| Mid Mid (pH 6-8) | -0.06 | 7.96 | -67.74 | 1 | 7 | -1 | 87 | 410.372 | 5 | ↓ |
| Lo Low (pH 4.5-6) | -2.80 | 8.12 | -82.21 | 3 | 7 | 1 | 94 | 412.388 | 4 | ↓ |
| Lo Low (pH 4.5-6) | -0.06 | 7.21 | -60.28 | 3 | 7 | 1 | 88 | 412.388 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
