UCSF

ZINC43470346

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 20 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) 3.23 8.9 -38.09 2 3 1 34 276.379 7
Hi High (pH 8-9.5) 3.23 8.47 -6.46 1 3 0 30 275.371 7

Activity (Go SEA)

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