UCSF

ZINC05190784

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2006 12 Yes

CAS Numbers: 39493-84-0 , 5807-09-0

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) -0.02 3.44 -56.87 1 4 0 54 173.212 4

Vendor Notes

Note Type Comments Provided By
MP 131-133° Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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