UCSF

ZINC01661187

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 20 No

CAS Numbers: 21679-14-1 , 21679-15-2

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) -0.37 -6.7 -13.83 5 9 0 140 285.235 2

Activity (Go SEA)

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