UCSF

ZINC19925870

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) -0.09 3.75 -12.74 2 7 0 93 236.231 5
Mid Mid (pH 6-8) -0.09 4.17 -45.47 3 7 1 94 237.239 5
Lo Low (pH 4.5-6) -0.12 2.76 -44.26 1 7 1 88 235.223 5

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

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