UCSF

ZINC39386676

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2010 13 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 3.11 -26.27 5 5 1 92 176.203 0
Mid Mid (pH 6-8) 0.48 2.61 -13.28 4 5 0 91 175.195 0

Activity (Go SEA)

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