UCSF

ZINC66054710

Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2011 16 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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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) 2.21 4.6 -40.6 3 2 1 29 215.32 0
Lo Low (pH 4.5-6) 2.21 5.16 -95.35 4 2 2 33 216.328 0

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

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