UCSF

ZINC33682218

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) 4.92 12.2 -10.44 1 6 0 71 497.979 6
Lo Low (pH 4.5-6) 1.45 12.11 -31.6 2 6 1 70 498.987 7

Activity (Go SEA)

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