UCSF

ZINC19953182

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 22 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) 4.39 10.01 -12.78 2 3 0 43 291.398 2
Mid Mid (pH 6-8) 4.39 10.43 -25.55 3 3 1 45 292.406 2

Activity (Go SEA)

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