UCSF

ZINC06878734

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2006 27 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) 4.66 16.16 -9.33 2 7 0 78 426.322 7
Lo Low (pH 4.5-6) 4.66 16.43 -28.88 3 7 1 80 427.33 7
Lo Low (pH 4.5-6) 4.66 16.45 -30.72 3 7 1 80 427.33 7

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

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