UCSF

ZINC71497310

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2011 13 Yes

Download: MOL2 SDF SMILES Flexibase

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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) 1.89 4.43 -37.49 2 2 1 26 178.255 1
Mid Mid (pH 6-8) 1.89 3.11 -3.15 1 2 0 21 177.247 1

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

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