UCSF

ZINC57876883

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2011 24 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) 2.15 9.13 -52.89 1 5 1 61 343.476 4
Mid Mid (pH 6-8) 2.15 6.73 -13.86 0 5 0 60 342.468 4

Activity (Go SEA)

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