UCSF

ZINC20426302

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 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) 3.32 5.16 -55.79 3 4 1 55 353.236 5
Mid Mid (pH 6-8) 3.32 4.94 -7.84 2 4 0 54 352.228 5

Activity (Go SEA)

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