UCSF

ZINC64976603

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2011 23 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) 3.29 2.9 -11.94 3 6 0 95 351.815 4
Mid Mid (pH 6-8) 3.26 3.68 -45.39 2 6 1 94 350.807 4
Mid Mid (pH 6-8) 3.29 3.34 -41.82 2 6 -1 97 350.807 4

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

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