UCSF

ZINC21814248

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 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) 5.45 7.08 -3.87 2 2 0 35 351.06 3
Mid Mid (pH 6-8) 5.45 7.25 -40.82 3 2 1 37 352.068 3

Activity (Go SEA)

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