UCSF

ZINC13560685

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 13 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) 0.91 5.98 -38.25 2 3 1 43 174.227 3
Mid Mid (pH 6-8) 0.91 5.49 -9.05 1 3 0 42 173.219 3
Mid Mid (pH 6-8) 0.91 5.46 -9.14 1 3 0 42 173.219 3
Lo Low (pH 4.5-6) 0.91 5.79 -35.18 2 3 1 43 174.227 3
Lo Low (pH 4.5-6) 0.91 6.44 -82.16 3 3 2 44 175.235 3
Lo Low (pH 4.5-6) 0.91 6.42 -82.28 3 3 2 44 175.235 3

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

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