UCSF

ZINC48961393

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2010 18 No

Download: MOL2 SDF SMILES Flexibase

Annotations

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Vendors

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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) 1.37 5.71 -33.17 2 5 1 54 252.338 5
Mid Mid (pH 6-8) 1.37 3.4 -6.97 1 5 0 53 251.33 5

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

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