UCSF

ZINC02389147

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 21 Yes

Popular Name: 3-[(tert-butoxycarbonyl)amino]-3-(3,4-dichlorophenyl)propanoic acid 3-[(tert-butoxycarbonyl)amino]-3…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 193633-52-2 , [193633-52-2]

Download: MOL2 SDF SMILES Flexibase

Physical Representations

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) 2.61 -0.45 -49.43 1 5 -1 78 333.191 6 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 1.430000000000000e+002 - 1.450000000000000e+002 KeyOrganics
melting_point 143 - 145 KeyOrganics
MP 143-145° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )