UCSF

ZINC39323892

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 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) 2.21 7.18 -12.25 0 5 0 60 344.484 3
Mid Mid (pH 6-8) 2.21 9.53 -50.27 1 5 1 61 345.492 3

Activity (Go SEA)

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