| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2005 | 11 | Yes |
Popular Name: 3-Methyl-2-ureido-butyric acid 3-Methyl-2-ureido-butyric acid
Find On: PubMed — Wikipedia — Google
CAS Number: 26081-00-5
| 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) | -1.73 | -3.08 | -52.98 | 3 | 5 | -1 | 95 | 159.165 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 2.14e+01 g/l | DrugBank-experimental |
| MP | 203 - 207 | Enamine Building Blocks |
| MP | 204 - 206 | Enamine Building Blocks |
| MP | 204...206 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80942-2-O | HEL (Embryonic Lung Cells) (cluster #2 Of 2), Other | Other | 790 | 0.78 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80942 | Z80942 | HEL (Embryonic Lung Cells) | 470 | 0.81 | Functional ≤ 10μM |
