UCSF

ZINC25498663

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 29 No

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) 6.11 7.86 -52.51 1 7 -1 115 410.475 7
Mid Mid (pH 6-8) 5.65 10.48 -35.05 1 7 -1 115 410.475 7
Mid Mid (pH 6-8) 5.65 9.69 -19.91 2 7 0 112 411.483 7

Activity (Go SEA)

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