UCSF

ZINC01456935

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2004 18 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) 3.48 8.15 -12.49 0 3 0 35 234.258 0
Lo Low (pH 4.5-6) 3.48 8.61 -28.26 1 3 1 36 235.266 0

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

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