UCSF

ZINC31946656

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 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) 1.44 5.58 -54.6 3 5 1 66 324.47 5
Mid Mid (pH 6-8) 1.44 4.19 -10.02 2 5 0 61 323.462 5

Activity (Go SEA)

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