UCSF

ZINC23194006

Substance Information

In ZINC since Heavy atoms Benign functionality
December 27th, 2008 29 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) 4.56 9.96 -48.67 2 5 1 50 410.925 6
Mid Mid (pH 6-8) 4.56 7.64 -10.4 1 5 0 49 409.917 6

Activity (Go SEA)

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