UCSF

ZINC39975062

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2010 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) 2.36 3.68 -8.34 0 4 0 41 300.399 3
Mid Mid (pH 6-8) 2.36 5.82 -45.89 1 4 1 42 301.407 3

Activity (Go SEA)

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