UCSF

ZINC39696894

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2010 29 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) 0.76 3.06 -49.95 3 7 1 78 421.587 4
Mid Mid (pH 6-8) 0.76 5.49 -103.84 4 7 2 80 422.595 4

Activity (Go SEA)

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