UCSF

ZINC59268789

Substance Information

In ZINC since Heavy atoms Benign functionality
March 1st, 2011 10 No

CAS Numbers: 408335-40-0 , 6967-12-0

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) 0.80 0.3 -30.34 3 3 1 52 134.162 0
Lo Low (pH 4.5-6) 0.80 0.14 -98.54 4 3 2 54 135.17 0

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

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