| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 12th, 2004 | 12 | No |
Popular Name: 4-Methylsulfanyl-2-ureido-butyric acid 4-Methylsulfanyl-2-ureido-butyri…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 30411-84-8 , [30411-84-8]
| 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) | -2.05 | -4.02 | -53.71 | 3 | 5 | -1 | 95 | 191.232 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 1.28e+01 g/l | DrugBank-experimental |
| MP | 141 - 143 | Enamine Building Blocks |
| MP | 141...143 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.