UCSF

ZINC39228592

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 34 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) 5.04 10.43 -48.73 3 7 1 77 456.522 5
Mid Mid (pH 6-8) 5.04 8.71 -15.7 2 7 0 76 455.514 5

Activity (Go SEA)

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