UCSF

ZINC39302186

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 29 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) 2.20 6.54 -11.03 1 7 0 76 398.507 4
Mid Mid (pH 6-8) 2.20 8.93 -35.14 2 7 1 78 399.515 4

Activity (Go SEA)

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