UCSF

ZINC60560840

Substance Information

In ZINC since Heavy atoms Benign functionality
March 27th, 2011 29 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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Vendors

    None

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) 3.99 9.69 -29.59 3 6 0 87 384.439 4
Lo Low (pH 4.5-6) 3.99 10.18 -53.89 4 6 1 88 385.447 4

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

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