UCSF

ZINC29052086

Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2009 17 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) 3.04 5.42 -45.13 3 4 1 59 301.208 5
Hi High (pH 8-9.5) 3.04 4.18 -12.97 2 4 0 54 300.2 5

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