UCSF

ZINC36992053

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 18 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) 4.41 8.62 -42.35 2 1 1 17 288.77 4
Mid Mid (pH 6-8) 4.41 7.4 -3.68 1 1 0 12 287.762 4

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