UCSF

ZINC60023505

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 38 No

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) -0.11 6.22 -130.58 2 14 -2 207 561.554 11
Hi High (pH 8-9.5) -0.11 5.87 -200.36 1 14 -3 205 560.546 11

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

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