UCSF

ZINC26423456

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2009 17 Yes

Other Names:

MFCD16653130

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) 0.23 0.85 -56.36 1 7 -1 108 249.231 3
Hi High (pH 8-9.5) 0.29 -0.32 -112.28 0 7 -2 114 248.223 3

Activity (Go SEA)

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

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