UCSF

ZINC71502504

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2011 25 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) 2.27 8.5 -52.75 2 6 1 61 339.419 6
Mid Mid (pH 6-8) 2.27 6.38 -35.13 2 6 1 61 339.419 6
Mid Mid (pH 6-8) 2.27 6.05 -16.84 1 6 0 59 338.411 6

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

No pre-computed analogs available. Try a structural similarity search.