| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 9th, 2010 | 16 | 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) | -0.04 | 1.47 | -6.81 | 1 | 5 | 0 | 50 | 222.292 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.04 | 3.75 | -45.64 | 2 | 5 | 1 | 51 | 223.3 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.04 | 1.91 | -32.56 | 2 | 5 | 1 | 52 | 223.3 | 4 | ↓ |
| Lo Low (pH 4.5-6) | -0.04 | 4.19 | -91.23 | 3 | 5 | 2 | 53 | 224.308 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
