UCSF

ZINC42371560

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2010 18 Yes

Download: MOL2 SDF SMILES Flexibase

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) 2.05 7.04 -38.74 1 4 1 47 249.334 7
Mid Mid (pH 6-8) 2.05 4.66 -10.17 0 4 0 45 248.326 7

Activity (Go SEA)

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