UCSF

ZINC01494998

Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2004 8 No

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) 0.95 1.21 -4.86 1 3 0 46 130.534 1
Ref Reference (pH 7) 0.95 1.22 -9.09 1 3 0 46 130.534 1

Vendor Notes

Note Type Comments Provided By
MP 170-173°(dec.) Oakwood Chemical
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% 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.