| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 15th, 2011 | 12 | 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) | 1.69 | 3.54 | -4.85 | 3 | 3 | 0 | 55 | 183.28 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.69 | 3.56 | -5.76 | 3 | 3 | 0 | 55 | 183.28 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 1.69 | 3.7 | -30.43 | 4 | 3 | 1 | 56 | 184.288 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
