UCSF

ZINC32628999

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2009 14 Yes

CAS Numbers: 1192191-39-1 , 41885-96-5

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) 2.06 5.19 -39.09 2 2 1 20 191.298 1

Vendor Notes

Note Type Comments Provided By
Melting_Point 177-181? Alfa-Aesar
Melting_Point 177-181° Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

Activity (Go SEA)

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