| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 2nd, 2011 | 23 | 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) | 1.40 | 2.35 | -39.83 | 4 | 7 | 1 | 102 | 334.425 | 4 | ↓ |
| Ref Reference (pH 7) | 1.21 | 1.02 | -39.05 | 4 | 7 | 1 | 106 | 334.425 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.21 | 1.74 | -35.69 | 3 | 7 | 0 | 109 | 333.417 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.21 | -0.41 | -12.48 | 3 | 7 | 0 | 105 | 333.417 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
