UCSF

ZINC13427706

Substance Information

In ZINC since Heavy atoms Benign functionality
June 19th, 2008 30 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) 1.97 8.45 -65.92 1 9 -1 134 443.486 4
Hi High (pH 8-9.5) 2.43 5.98 -126.97 0 9 -2 137 442.478 4

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

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