UCSF

ZINC13410995

Substance Information

In ZINC since Heavy atoms Benign functionality
June 18th, 2008 27 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) 1.10 6.63 -63.45 1 10 -1 143 383.369 5
Mid Mid (pH 6-8) 1.56 4.16 -124.77 0 10 -2 146 382.361 5

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

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