UCSF

ZINC48391020

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2010 20 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) 2.85 8.54 -12.26 1 4 0 47 273.38 6
Mid Mid (pH 6-8) 2.85 9.02 -38.27 2 4 1 48 274.388 6

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