| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 9th, 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) | 3.16 | 7.31 | -31.66 | 3 | 4 | 1 | 58 | 281.383 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.16 | 7.36 | -10.61 | 2 | 4 | 0 | 57 | 280.375 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.16 | 7.78 | -77.61 | 4 | 4 | 2 | 59 | 282.391 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
