UCSF

ZINC02574364

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 11 Yes

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) 1.12 1.3 -51.45 1 3 -1 60 155.104 1

Vendor Notes

Note Type Comments Provided By
MP 200-202° Matrix Scientific
MP 202 TCI
mp 202 - 204 MolMall (formerly Molecular Diversity Preservation International)
MP 202...204 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

Rings

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

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