UCSF

ZINC04586352

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2005 22 Yes

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) 0.94 -3.77 -13.89 0 6 0 66 324.402 2

Activity (Go SEA)

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