UCSF

ZINC06403044

Substance Information

In ZINC since Heavy atoms Benign functionality
March 26th, 2006 13 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) 1.38 4.54 -8.84 1 3 0 46 172.187 2
Lo Low (pH 4.5-6) 0.52 3.59 -32.88 1 3 1 44 173.195 2
Lo Low (pH 4.5-6) 0.52 3.6 -32.92 1 3 1 44 173.195 2

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

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