UCSF

ZINC21984184

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 26 No

CAS Numbers: 119478-56-7 , 96036-03-2

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) -0.85 1.02 -98.77 3 8 0 118 383.47 5
Hi High (pH 8-9.5) -0.85 -0.26 -76.51 2 8 -1 113 382.462 5

Activity (Go SEA)

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