UCSF

ZINC59089699

Substance Information

In ZINC since Heavy atoms Benign functionality
February 24th, 2011 15 No

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) 3.75 7.67 -38.24 2 3 1 43 216.345 10
Mid Mid (pH 6-8) 3.75 6.48 -4.61 1 3 0 38 215.337 10

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