UCSF

ZINC47976220

Substance Information

In ZINC since Heavy atoms Benign functionality
September 9th, 2010 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 2.24 6.1 -7.49 1 4 0 45 235.331 4
Mid Mid (pH 6-8) 2.24 6.57 -29.66 2 4 1 46 236.339 4

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