UCSF

ZINC49805307

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2010 13 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) 1.81 7.65 -46 0 2 -1 40 175.207 3

Vendor Notes

Note Type Comments Provided By
MP 102 - 104 Enamine Building Blocks
MP 102...104 Enamine Building Blocks
Melting_Point 85-89? Alfa-Aesar
Melting_Point 85-89° Alfa-Aesar
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.