UCSF

ZINC05215104

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2006 14 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) 1.85 4.98 -7.7 1 4 0 54 204.258 2
Mid Mid (pH 6-8) 1.85 3.93 -7.91 1 4 0 54 204.258 2
Mid Mid (pH 6-8) 1.85 3.9 -7.34 1 4 0 54 204.258 2
Mid Mid (pH 6-8) 1.85 5.01 -7.37 1 4 0 54 204.258 2

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

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