UCSF

ZINC19999174

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 27 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) -0.60 0.44 -49.36 2 9 -1 116 376.389 6
Mid Mid (pH 6-8) -0.49 1.66 -89.06 4 9 2 113 379.413 6
Mid Mid (pH 6-8) -0.60 2.7 -55.19 3 9 0 117 377.397 6

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

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