UCSF

ZINC43588269

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2010 17 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) -0.02 4.94 -99.48 4 4 2 54 241.379 3
Hi High (pH 8-9.5) -0.02 3.58 -48.54 3 4 1 49 240.371 3

Activity (Go SEA)

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