UCSF

ZINC60315046

Substance Information

In ZINC since Heavy atoms Benign functionality
March 18th, 2011 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) 0.48 6.25 -40.81 3 5 1 74 279.36 7
Mid Mid (pH 6-8) 0.48 5.92 -14.57 2 5 0 73 278.352 7

Activity (Go SEA)

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