UCSF

ZINC55084003

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 20 Yes

Download: MOL2 SDF SMILES Flexibase

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) 0.42 4.14 -85.38 3 5 2 45 284.448 4
Hi High (pH 8-9.5) 0.42 0.93 -7.05 1 5 0 39 282.432 4
Mid Mid (pH 6-8) 0.42 2.29 -40.81 2 5 1 43 283.44 4

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

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