UCSF

ZINC43749739

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2010 28 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) 3.71 7.72 -5.49 1 5 0 53 389.584 5
Mid Mid (pH 6-8) 3.71 9.91 -41.08 2 5 1 54 390.592 5

Activity (Go SEA)

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