UCSF

ZINC20109656

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 28 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) 3.44 7.2 -38.16 2 5 1 46 383.512 7
Mid Mid (pH 6-8) 3.44 6.65 -9.36 1 5 0 45 382.504 7

Activity (Go SEA)

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