| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 22nd, 2008 | 30 | 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) | -5.04 | 4.71 | -98.45 | 3 | 12 | -1 | 173 | 431.466 | 8 | ↓ |
| Mid Mid (pH 6-8) | -5.04 | 6.7 | -140.11 | 2 | 12 | -2 | 176 | 430.458 | 8 | ↓ |
| Mid Mid (pH 6-8) | -5.04 | 6.27 | -138.56 | 2 | 12 | -2 | 176 | 430.458 | 8 | ↓ |
| Mid Mid (pH 6-8) | -5.04 | 8.42 | -145.8 | 3 | 12 | -1 | 177 | 431.466 | 8 | ↓ |
| Lo Low (pH 4.5-6) | -5.04 | 10.59 | -154.64 | 4 | 12 | 0 | 178 | 432.474 | 8 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| mp | 150 - 153 | MolMall (formerly Molecular Diversity Preservation International) |
| UniProt Database Links | CASPC_HUMAN; TETR1_ECOLX; TETR2_ECOLX; TETR3_ECOLX; TETR4_ECOLX; TETR4_SALOR; TETR5_ECOLX; TETR7_VIBAN; TETR8_PASMD; TETR8_PHODP | ChEBI |
