UCSF

ZINC69925546

Substance Information

In ZINC since Heavy atoms Benign functionality
November 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) -0.07 5.33 -41.15 1 7 1 77 341.457 4
Mid Mid (pH 6-8) -0.07 4.87 -23.21 0 7 0 76 340.449 4

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

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