UCSF

ZINC67948070

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 23 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) 2.44 7.55 -9.09 0 5 0 43 310.401 7
Mid Mid (pH 6-8) 2.44 9.38 -48.26 1 5 1 44 311.409 7

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

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