UCSF

ZINC40189904

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 23 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 1.26 6.83 -15.97 1 7 0 82 319.361 8
Mid Mid (pH 6-8) 1.26 7.39 -37.92 2 7 1 84 320.369 8

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