UCSF

ZINC41703626

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 21 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) 1.87 7.71 -50.92 2 5 1 54 288.371 2
Mid Mid (pH 6-8) 1.87 5.39 -14.64 1 5 0 53 287.363 2

Activity (Go SEA)

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