| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2009 | 14 | 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) | -0.60 | 1.78 | -52.2 | 4 | 4 | 1 | 69 | 189.242 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.60 | 1.75 | -51.64 | 4 | 4 | 1 | 69 | 189.242 | 3 | ↓ |
| Lo Low (pH 4.5-6) | -0.60 | 2.2 | -114.71 | 5 | 4 | 2 | 70 | 190.25 | 3 | ↓ |
| Lo Low (pH 4.5-6) | -0.60 | 2.19 | -114.58 | 5 | 4 | 2 | 70 | 190.25 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
