| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 6th, 2013 | 36 | 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) | 0.67 | 15.97 | -128.15 | 1 | 6 | 2 | 54 | 557.577 | 6 | ↓ |
| Hi High (pH 8-9.5) | 4.74 | 13.3 | -20.49 | 0 | 6 | 0 | 54 | 555.561 | 7 | ↓ |
| Mid Mid (pH 6-8) | 0.67 | 13.86 | -56.02 | 0 | 6 | 1 | 53 | 556.569 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.