UCSF

ZINC35642523

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 39 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) 5.40 12.39 -20.16 2 10 0 103 535.645 10
Mid Mid (pH 6-8) 5.40 12.57 -48.18 3 10 1 105 536.653 10

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

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