UCSF

ZINC06091785

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2006 18 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) 1.30 0.09 -42.08 5 4 1 77 250.318 2
Hi High (pH 8-9.5) 1.30 -1 -6.94 4 4 0 73 249.31 2

Activity (Go SEA)

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