UCSF

ZINC55021730

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 21 No

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) 2.20 4.7 -7.67 3 4 0 62 281.359 4
Mid Mid (pH 6-8) 2.20 7.42 -41.79 4 4 1 63 282.367 4

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

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