UCSF

ZINC39948794

Substance Information

In ZINC since Heavy atoms Benign functionality
March 18th, 2010 35 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) 3.52 6.77 -29.85 5 12 1 162 476.521 6
Hi High (pH 8-9.5) 3.52 4.68 -10.6 4 12 0 161 475.513 6
Hi High (pH 8-9.5) 3.52 5.45 -45.29 3 12 -1 163 474.505 6

Activity (Go SEA)

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