UCSF

ZINC39696604

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2010 30 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) 0.41 3.95 -52.01 3 7 1 78 415.558 4
Mid Mid (pH 6-8) 0.41 6.37 -106.73 4 7 2 80 416.566 4

Activity (Go SEA)

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