UCSF

ZINC36150557

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 25 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) 2.24 7.38 -46.56 1 6 1 56 365.475 9
Mid Mid (pH 6-8) 2.24 5.28 -8.45 0 6 0 55 364.467 9
Lo Low (pH 4.5-6) 2.24 9.65 -130.61 2 6 2 58 366.483 9

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

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