UCSF

ZINC16217165

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2008 31 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) 3.46 4.12 -21.83 2 10 0 147 463.493 8
Hi High (pH 8-9.5) 3.46 4.19 -55.21 1 10 -1 149 462.485 8
Hi High (pH 8-9.5) 3.46 4.19 -44.1 1 10 -1 149 462.485 8
Hi High (pH 8-9.5) 3.46 4.26 -98.68 0 10 -2 152 461.477 8

Activity (Go SEA)

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