UCSF

ZINC00874173

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2005 18 Yes

CAS Number: 42878-47-7

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) 3.79 -0.75 -54.54 0 3 -1 53 260.7 1

Vendor Notes

Note Type Comments Provided By
MP >300° Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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