UCSF

ZINC49332479

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2010 18 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) 2.39 9.33 -110.09 3 2 2 21 252.377 7
Hi High (pH 8-9.5) 2.39 7.99 -34.34 2 2 1 16 251.369 7
Mid Mid (pH 6-8) 2.39 6.88 -45.35 2 2 1 20 251.369 7

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

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