UCSF

ZINC41246219

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2010 16 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) 1.55 6.71 -83.37 2 3 2 12 227.396 4
Mid Mid (pH 6-8) 1.55 4.44 -32.61 1 3 1 11 226.388 4

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