UCSF

ZINC36908718

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 15 Yes

Other Names:

MFCD12113961

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) 1.68 4.39 -31.55 2 3 1 26 215.361 5
Mid Mid (pH 6-8) 1.68 5.4 -94.3 3 3 2 30 216.369 5

Vendor Notes

Note Type Comments Provided By
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.