UCSF

ZINC41584801

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 34 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) 2.58 11.85 -49.26 2 8 1 103 465.526 6
Hi High (pH 8-9.5) 2.58 12.61 -39.03 1 8 0 106 464.518 6
Hi High (pH 8-9.5) 2.58 9.74 -21.17 1 8 0 102 464.518 6

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

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