UCSF

ZINC40449356

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 26 No

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) -1.15 2.34 -30.06 2 10 0 123 452.198 5
Hi High (pH 8-9.5) -0.69 -0.32 -71.48 1 10 -1 126 451.19 5

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

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