UCSF

ZINC43425356

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 21 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) 2.73 6.27 -9.43 0 4 0 45 286.375 5
Mid Mid (pH 6-8) 2.73 8.36 -43.79 1 4 1 47 287.383 5

Activity (Go SEA)

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