UCSF

ZINC17160070

Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 2008 24 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) 4.93 8.36 -42.96 1 4 -1 60 352.826 3
Ref Reference (pH 7) 5.42 8.83 -10.03 2 4 0 61 353.834 2
Hi High (pH 8-9.5) 5.88 6.55 -52.13 1 4 -1 64 352.826 2
Hi High (pH 8-9.5) 5.88 6.82 -48.95 1 4 -1 64 352.826 2

Activity (Go SEA)

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