UCSF

ZINC69232084

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2011 19 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) -0.82 7.03 -65.59 3 5 1 70 271.381 6
Hi High (pH 8-9.5) -0.82 6.75 -38.32 2 5 0 66 270.373 6
Mid Mid (pH 6-8) -0.82 5.34 -31.24 2 5 0 69 270.373 6

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

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