UCSF

ZINC39301164

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 35 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) 5.39 12.22 -16.39 5 8 0 114 472.524 9
Mid Mid (pH 6-8) 5.39 12.32 -38.74 6 8 1 115 473.532 9
Mid Mid (pH 6-8) 5.39 12.19 -39.54 6 8 1 115 473.532 9

Activity (Go SEA)

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