UCSF

ZINC42450044

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 16 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.40 6.22 -123.33 4 3 2 45 226.364 6
Mid Mid (pH 6-8) 1.40 5.85 -33.12 3 3 1 44 225.356 6
Mid Mid (pH 6-8) 1.40 4.27 -41.05 3 3 1 44 225.356 6

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Rings

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