UCSF

ZINC44995179

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2010 22 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) 1.22 1.07 -9.67 1 5 0 45 310.348 5
Mid Mid (pH 6-8) 1.22 3.37 -40.65 2 5 1 46 311.356 5
Lo Low (pH 4.5-6) 1.22 3.76 -83.26 3 5 2 47 312.364 5

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

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