UCSF

ZINC38592177

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 22 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) 1.54 1.3 -42.05 0 6 -1 87 359.159 2
Lo Low (pH 4.5-6) 1.54 2.29 -47.34 1 6 0 89 360.167 2

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

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