UCSF

ZINC19992120

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 21 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) 4.89 11.34 -122.71 3 2 2 21 290.495 5
Mid Mid (pH 6-8) 4.89 10.11 -32.13 2 2 1 16 289.487 5
Mid Mid (pH 6-8) 4.89 9.26 -35.77 2 2 1 20 289.487 5

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

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