| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 30th, 2006 | 33 | No |
Popular Name: Cantrex Cantrex
| 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) | -5.70 | -17.83 | -291.9 | 19 | 15 | 4 | 289 | 488.535 | 6 | ↓ |
| Hi High (pH 8-9.5) | -5.70 | -18.78 | -126.64 | 17 | 15 | 2 | 286 | 486.519 | 6 | ↓ |
| Hi High (pH 8-9.5) | -5.70 | -18.63 | -115.68 | 17 | 15 | 2 | 286 | 486.519 | 6 | ↓ |
| Mid Mid (pH 6-8) | -5.70 | -18.27 | -208.75 | 18 | 15 | 3 | 287 | 487.527 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| mp | 252 | MolMall (formerly Molecular Diversity Preservation International) |
