UCSF

ZINC49492059

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2010 19 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) 2.89 4.91 -48.17 1 4 0 53 277.393 4
Mid Mid (pH 6-8) 2.44 7.77 -50.32 2 4 1 50 278.401 4

Activity (Go SEA)

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