UCSF

ZINC62321146

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2011 21 Yes

Download: MOL2 SDF SMILES Flexibase

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) 2.09 6.47 -26.97 2 5 1 47 306.821 5
Hi High (pH 8-9.5) 2.09 6.01 -9.73 1 5 0 46 305.813 5
Mid Mid (pH 6-8) 2.09 6.88 -78.6 3 5 2 48 307.829 5

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

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