UCSF

ZINC01665626

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 21 No

CAS Numbers: 23186-94-9 , 57-41-0

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) 2.60 -2.13 -10.93 2 4 0 58 280.327 4

Vendor Notes

Note Type Comments Provided By
Melting_Point 293-298? Alfa-Aesar
Melting_Point 293-298° Alfa-Aesar
MP 318 - 320 Enamine Building Blocks
MP 318...320 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

Activity (Go SEA)

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

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