UCSF

ZINC13410652

Substance Information

In ZINC since Heavy atoms Benign functionality
June 18th, 2008 32 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) 1.81 8.11 -65.73 1 10 -1 143 455.472 8
Hi High (pH 8-9.5) 2.27 5.65 -127.82 0 10 -2 146 454.464 8

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

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