UCSF

ZINC02047604

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2004 21 Yes

CAS Numbers: 131-48-6 , [131-48-6]

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) -4.13 -8 -50.33 6 10 -1 180 308.263 5

Vendor Notes

Note Type Comments Provided By
Melting_Point ca 185? dec. Alfa-Aesar
Melting_Point ca 185° dec. Alfa-Aesar

Activity (Go SEA)

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