UCSF

ZINC39693914

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2010 37 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) 2.78 11.68 -101.14 4 7 2 74 526.125 6
Mid Mid (pH 6-8) 2.78 9.34 -53.75 3 7 1 72 525.117 6

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