UCSF

ZINC69236723

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2011 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) 2.43 6.31 -32.71 3 4 1 51 282.367 6
Hi High (pH 8-9.5) 2.43 5.62 -11.09 2 4 0 50 281.359 6
Mid Mid (pH 6-8) 2.43 6.96 -45.91 3 4 1 55 282.367 6

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

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