UCSF

ZINC20109545

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 29 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) 2.54 11.4 -94.08 3 5 2 41 400.611 6
Hi High (pH 8-9.5) 2.54 9.29 -44 2 5 1 40 399.603 6

Activity (Go SEA)

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