UCSF

ZINC53933961

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2010 21 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) 3.55 8.96 -41.94 2 2 1 20 323.913 8
Lo Low (pH 4.5-6) 3.55 10.29 -44.21 2 2 1 16 323.913 8
Lo Low (pH 4.5-6) 3.55 11.31 -123.22 3 2 2 21 324.921 8

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

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