UCSF

ZINC38241342

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2010 16 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) 1.62 5.56 -47.1 2 4 1 52 224.28 7
Hi High (pH 8-9.5) 1.62 4.21 -7.9 1 4 0 48 223.272 7

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