| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 12th, 2011 | 19 | 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) | 3.58 | 8.49 | -37.27 | 2 | 2 | 1 | 20 | 261.433 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.58 | 7.27 | -1.63 | 1 | 2 | 0 | 15 | 260.425 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.58 | 9.22 | -36.15 | 2 | 2 | 1 | 16 | 261.433 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.58 | 10.52 | -113.61 | 3 | 2 | 2 | 21 | 262.441 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
