UCSF

ZINC17288825

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 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) 3.92 6.44 -19.7 2 6 0 84 343.77 3
Hi High (pH 8-9.5) 3.92 7.61 -61.88 1 6 -1 87 342.762 3
Hi High (pH 8-9.5) 3.92 7.45 -65.86 1 6 -1 87 342.762 3

Activity (Go SEA)

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