UCSF

ZINC52507989

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 21 Yes

Popular Name: tert-butyl 3-amino-8-thia-4,6,11- triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5- tetraene-11-carboxylate tert-butyl 3-amino-8-thia-4,6,11…

Find On: PubMed — Wikipedia — Google

CAS Number: 1196798-60-3

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) 1.95 6.07 -9.57 2 6 0 81 306.391 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 1.940000000000000e+002 - 1.960000000000000e+002 KeyOrganics
melting_point 194 - 196 KeyOrganics
MP 194-196° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

Rings

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

No pre-computed analogs available. Try a structural similarity search.