UCSF

ZINC39302004

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 32 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) 4.59 9.21 -12.07 1 6 0 59 479.452 6
Mid Mid (pH 6-8) 4.59 11.59 -48.2 2 6 1 61 480.46 6

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