UCSF

ZINC42468664

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 18 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) 0.05 1.36 -33.81 5 5 1 88 249.338 2
Hi High (pH 8-9.5) 0.05 1.4 -6.78 4 5 0 86 248.33 2
Lo Low (pH 4.5-6) 0.05 1.78 -86.85 6 5 2 89 250.346 2

Activity (Go SEA)

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