UCSF

ZINC32604955

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2009 23 Yes

Download: MOL2 SDF SMILES Flexibase

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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) 3.00 8.58 -49.29 2 4 0 62 326.783 2
Hi High (pH 8-9.5) 4.31 8.17 -52.92 1 4 -1 65 325.775 2

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

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