UCSF

ZINC54935407

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 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) 1.81 7.41 -49.7 3 4 1 57 263.409 5
Mid Mid (pH 6-8) 1.81 7.85 -92.82 4 4 2 58 264.417 5

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

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