UCSF

ZINC77024750

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2012 11 Yes

CAS Number: 1352881-33-4

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) 1.48 4.47 -7.71 0 3 0 30 167.599 0

Vendor Notes

Note Type Comments Provided By
Purity 95+% Matrix Scientific
Warnings Irritant Matrix Scientific

Activity (Go SEA)

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

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