UCSF

ZINC33690491

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2009 34 No

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) 6.43 12.99 -11.1 1 6 0 71 481.662 10
Lo Low (pH 4.5-6) 2.76 13.88 -35.38 2 6 1 70 482.67 11

Activity (Go SEA)

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