UCSF

ZINC23374142

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2008 23 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) 2.72 7.21 -35.12 3 4 1 46 338.903 6
Lo Low (pH 4.5-6) 2.72 8.33 -116.37 4 4 2 50 339.911 6

Activity (Go SEA)

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