UCSF

ZINC31946280

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 19 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) 1.26 5.68 -53.59 2 5 1 54 324.202 1
Mid Mid (pH 6-8) 1.26 4.29 -9.52 1 5 0 50 323.194 1

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