| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 1st, 2011 | 20 | 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) | 1.82 | 3.74 | -40.7 | 2 | 5 | 1 | 47 | 301.842 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.82 | 2.29 | -6.11 | 1 | 5 | 0 | 42 | 300.834 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.82 | 4.72 | -40.06 | 2 | 5 | 1 | 44 | 301.842 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.82 | 6.16 | -104.7 | 3 | 5 | 2 | 48 | 302.85 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
