UCSF

ZINC52346488

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 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) 1.47 5.54 -37.54 2 3 1 33 225.356 7
Mid Mid (pH 6-8) 1.47 7.4 -105.8 3 3 2 34 226.364 7

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Rings

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