UCSF

ZINC48926935

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2010 20 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) 2.29 9.36 -10.45 1 4 0 47 271.364 5
Mid Mid (pH 6-8) 2.29 10.17 -35.32 2 4 1 48 272.372 5

Activity (Go SEA)

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