UCSF

ZINC06894429

Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 2006 24 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) 3.31 8.58 -44.75 3 5 0 82 324.38 6
Hi High (pH 8-9.5) 3.31 7.23 -54.3 2 5 -1 77 323.372 6

Activity (Go SEA)

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