UCSF

ZINC71791674

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2012 9 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) 0.76 3.14 -47.83 0 3 -1 43 130.167 1
Mid Mid (pH 6-8) 0.76 1.22 -6.34 1 3 0 41 131.175 1

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

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