UCSF

ZINC35640171

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 35 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) 1.93 8.03 -58.09 2 9 1 97 524.425 6
Hi High (pH 8-9.5) 2.11 5.75 -39.84 1 9 0 103 523.417 6

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

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