UCSF

ZINC31977595

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 22 No

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) 3.05 7.85 -40.44 1 4 1 34 303.426 4
Mid Mid (pH 6-8) 3.05 7.65 -40.66 1 4 1 34 303.426 4
Mid Mid (pH 6-8) 3.05 5.38 -6.47 0 4 0 33 302.418 4

Activity (Go SEA)

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