UCSF

ZINC35641471

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 35 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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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) 5.79 12.09 -11.66 1 7 0 65 521.42 7
Mid Mid (pH 6-8) 5.79 13.74 -47.14 2 7 1 66 522.428 7

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

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