UCSF

ZINC54836826

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2010 16 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) 0.83 2.98 -55.56 3 4 1 66 215.28 2
Mid Mid (pH 6-8) 0.83 2.57 -8.45 2 4 0 65 214.272 2

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

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