UCSF

ZINC39548109

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2010 27 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) 3.18 8.63 -16.29 1 5 0 60 362.429 8
Lo Low (pH 4.5-6) 3.18 9 -42.25 2 5 1 62 363.437 8

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