UCSF

ZINC40116585

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 21 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) 1.09 2.8 -58.39 1 6 -1 96 286.263 3
Mid Mid (pH 6-8) 1.09 2.04 -13.32 2 6 0 93 287.271 3

Activity (Go SEA)

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