UCSF

ZINC22694189

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 22 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) 3.02 5.34 -9.63 1 4 0 42 373.266 5
Mid Mid (pH 6-8) 3.02 7.42 -45.76 2 4 1 43 374.274 5

Activity (Go SEA)

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