UCSF

ZINC67118771

Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2011 22 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) 2.81 5.35 -44.21 2 7 1 96 350.848 8
Hi High (pH 8-9.5) 2.81 3.39 -8.06 1 7 0 95 349.84 8
Hi High (pH 8-9.5) 2.81 5.52 -30.33 1 7 0 99 349.84 8

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Rings

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