UCSF

ZINC69706017

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2011 23 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) 2.26 8.31 -16.48 1 7 0 73 331.449 3
Lo Low (pH 4.5-6) 2.26 9.25 -74 3 7 2 75 333.465 3
Lo Low (pH 4.5-6) 2.26 8.81 -34.22 2 7 1 74 332.457 3

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

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