UCSF

ZINC33770490

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 32 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) 2.71 9.83 -47.7 0 8 -1 108 449.512 8
Lo Low (pH 4.5-6) 2.71 8.54 -20.04 1 8 0 106 450.52 8

Activity (Go SEA)

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