| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2010 | 23 | 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) | 6.93 | 13.5 | -45.4 | 0 | 3 | -1 | 53 | 323.497 | 16 | ↓ |
| Lo Low (pH 4.5-6) | 6.93 | 11.53 | -7.86 | 1 | 3 | 0 | 50 | 324.505 | 16 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z100336-1-O | HSVEC (Human Saphenous Vein Endothelial Cells) (cluster #1 Of 1), Other | Other | 60 | 0.44 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z100336 | Z100336 | HSVEC (Human Saphenous Vein Endothelial Cells) | 60 | 0.44 | Functional ≤ 10μM |
