UCSF

ZINC39302652

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 38 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) 4.45 15.54 -22.37 0 6 0 49 508.666 6
Mid Mid (pH 6-8) 4.45 17.76 -59.19 1 6 1 50 509.674 6

Activity (Go SEA)

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