| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 13th, 2014 | 24 | 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) | 2.43 | 8.31 | -85.64 | 5 | 6 | 2 | 82 | 329.448 | 1 | ↓ |
| Hi High (pH 8-9.5) | 2.43 | 6.5 | -7.24 | 3 | 6 | 0 | 76 | 327.432 | 1 | ↓ |
| Mid Mid (pH 6-8) | 2.43 | 8.28 | -96.65 | 5 | 6 | 2 | 82 | 329.448 | 1 | ↓ |
| Mid Mid (pH 6-8) | 2.43 | 7.81 | -47.44 | 4 | 6 | 1 | 81 | 328.44 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.