UCSF

ZINC39265318

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 27 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) 3.90 9.18 -11.85 0 5 0 46 397.422 5
Mid Mid (pH 6-8) 3.90 11.43 -42.66 1 5 1 47 398.43 5

Activity (Go SEA)

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