UCSF

ZINC53349076

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2010 26 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) 2.94 8.77 -54.09 2 6 1 61 359.446 9
Hi High (pH 8-9.5) 2.94 6.45 -14.93 1 6 0 60 358.438 9

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

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