UCSF

ZINC76426824

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2012 24 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) 3.88 5.92 -20.98 2 6 0 77 336.294 6

Activity (Go SEA)

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