UCSF

ZINC36139265

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 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) 1.32 2.43 -30.06 6 4 1 82 195.271 2
Mid Mid (pH 6-8) 1.32 2.27 -7.38 5 4 0 81 194.263 2

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

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