| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 29th, 2008 | 35 | No |
| 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) | 2.73 | 5.02 | -20.42 | 4 | 8 | 0 | 107 | 493.633 | 9 | ↓ |
| Mid Mid (pH 6-8) | 3.16 | 7.56 | -47.26 | 5 | 8 | 1 | 110 | 494.641 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 2.73 | 7.28 | -47.92 | 5 | 8 | 1 | 108 | 494.641 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 2.73 | 7.29 | -54.1 | 5 | 8 | 1 | 108 | 494.641 | 9 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
