| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 6th, 2010 | 37 | No |
| 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) | 9.20 | 12.44 | -208.58 | 7 | 4 | 3 | 62 | 571.721 | 20 | ↓ |
| Hi High (pH 8-9.5) | 9.20 | 9.75 | -44.84 | 5 | 4 | 1 | 53 | 569.705 | 20 | ↓ |
| Hi High (pH 8-9.5) | 9.20 | 11.09 | -102.64 | 6 | 4 | 2 | 57 | 570.713 | 20 | ↓ |
| Hi High (pH 8-9.5) | 9.20 | 11.11 | -102.53 | 6 | 4 | 2 | 57 | 570.713 | 20 | ↓ |
| Mid Mid (pH 6-8) | 9.20 | 11.08 | -116.72 | 6 | 4 | 2 | 57 | 570.713 | 20 | ↓ |
| Mid Mid (pH 6-8) | 9.20 | 13.8 | -310.23 | 8 | 4 | 4 | 66 | 572.729 | 20 | ↓ |
| Mid Mid (pH 6-8) | 9.20 | 12.45 | -190.09 | 7 | 4 | 3 | 62 | 571.721 | 20 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80878-2-O | NCI-H157 (Non-small Cell Lung Carcinoma Cells) (cluster #2 Of 2), Other | Other | 3600 | 0.21 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80878 | Z80878 | NCI-H157 (Non-small Cell Lung Carcinoma Cells) | 3600 | 0.21 | Functional ≤ 10μM |
