UCSF

ZINC05562177

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2006 23 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) 1.52 6.62 -11.7 4 7 0 98 335.433 6
Mid Mid (pH 6-8) 2.25 6.58 -45.42 3 7 -1 95 334.425 6

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

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