UCSF

ZINC19397832

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 19 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) 2.42 8.19 -94.75 4 2 2 32 260.356 5
Hi High (pH 8-9.5) 2.42 5.35 -5.2 2 2 0 29 258.34 5
Hi High (pH 8-9.5) 2.42 5.77 -49.99 3 2 1 31 259.348 5
Hi High (pH 8-9.5) 2.42 7.8 -35.87 3 2 1 30 259.348 5

Activity (Go SEA)

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