UCSF

ZINC48927439

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2010 19 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) 0.40 0.03 -3.64 2 5 0 57 270.373 1
Lo Low (pH 4.5-6) 0.40 1.85 -30.24 3 5 1 58 271.381 1
Lo Low (pH 4.5-6) 0.40 2.13 -119.37 4 5 2 60 272.389 1

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

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