| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 6th, 2010 | 21 | 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) | 1.46 | -0.36 | -9.55 | 3 | 6 | 0 | 87 | 313.423 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.46 | 0.4 | -42.31 | 2 | 6 | -1 | 90 | 312.415 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.46 | 1.56 | -45.23 | 4 | 6 | 1 | 88 | 314.431 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
