UCSF

ZINC05332114

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2006 19 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) 2.07 6.65 -8.79 0 5 0 57 251.293 4
Lo Low (pH 4.5-6) 2.07 6.97 -46.23 1 5 1 58 252.301 4

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

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