UCSF

ZINC48631726

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2010 14 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) 1.01 2.93 -44.17 2 4 1 46 199.274 2
Hi High (pH 8-9.5) 1.01 1.46 -11.43 1 4 0 42 198.266 2

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

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