UCSF

ZINC52001334

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2010 25 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) 3.29 8.27 -12.06 0 4 0 33 342.414 5
Mid Mid (pH 6-8) 3.29 10.49 -53.02 1 4 1 34 343.422 5

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