UCSF

ZINC40673134

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2010 18 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) 0.74 3.07 -41.96 4 4 1 60 248.35 4
Lo Low (pH 4.5-6) 0.74 4.25 -123.62 5 4 2 64 249.358 4

Activity (Go SEA)

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