| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 21st, 2011 | 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) | 0.99 | 4.29 | -78.23 | 5 | 5 | 2 | 67 | 298.475 | 8 | ↓ |
| Hi High (pH 8-9.5) | 0.99 | 4.99 | -36.25 | 4 | 5 | 1 | 63 | 297.467 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 0.99 | 5.73 | -207.73 | 6 | 5 | 3 | 69 | 299.483 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 0.99 | 6.62 | -104.42 | 5 | 5 | 2 | 64 | 298.475 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
