UCSF

ZINC33591546

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2009 30 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) 6.37 11.39 -17.07 2 5 0 71 396.446 6
Hi High (pH 8-9.5) 6.37 12.4 -62.4 1 5 -1 74 395.438 6

Activity (Go SEA)

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