UCSF

ZINC53657830

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 19 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) 1.90 6.36 -40.57 2 3 1 33 262.421 6
Mid Mid (pH 6-8) 1.90 7.09 -80.64 3 3 2 34 263.429 6
Mid Mid (pH 6-8) 1.90 8.58 -101.13 3 3 2 34 263.429 6

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

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