UCSF

ZINC42432933

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 14 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 0.33 0.79 -10.54 6 4 0 76 201.314 5
Hi High (pH 8-9.5) 0.33 -1.2 -2.78 5 4 0 75 200.306 5

Activity (Go SEA)

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