UCSF

ZINC38916556

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2010 14 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) 1.22 5.07 -117.95 4 2 2 32 194.322 5
Mid Mid (pH 6-8) 1.22 3.32 -41.93 3 2 1 31 193.314 5

Activity (Go SEA)

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