UCSF

ZINC04817927

Substance Information

In ZINC since Heavy atoms Benign functionality
January 6th, 2006 17 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) -1.29 1 -6.33 4 9 0 160 228.175 1
Mid Mid (pH 6-8) -1.29 1.45 -34.03 5 9 1 161 229.183 1

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

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