UCSF

ZINC33765581

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 33 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) 0.85 7.26 -49.25 0 10 -1 127 467.483 7
Lo Low (pH 4.5-6) 0.85 5.96 -23.91 1 10 0 124 468.491 7

Activity (Go SEA)

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