UCSF

ZINC57996114

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2011 28 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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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) 1.63 8.7 -17.76 2 6 0 76 398.894 7
Mid Mid (pH 6-8) 1.63 9.18 -42.44 3 6 1 77 399.902 7

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

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