UCSF

ZINC49512772

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2010 18 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) 0.95 4.62 -42.68 3 5 1 50 251.354 5
Hi High (pH 8-9.5) 0.95 3.39 -8 2 5 0 49 250.346 5

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

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