UCSF

ZINC60214383

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2011 30 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) -0.46 1.43 -20.8 4 12 0 179 416.346 6
Hi High (pH 8-9.5) 0.45 -0.74 -45.9 3 12 -1 182 415.338 6
Hi High (pH 8-9.5) 0.45 -0.55 -43.75 3 12 -1 182 415.338 6

Activity (Go SEA)

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