UCSF

ZINC26992546

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2009 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) 3.41 7.34 -30.47 1 2 1 14 236.379 1
Mid Mid (pH 6-8) 3.41 5.9 -1.34 0 2 0 12 235.371 1

Activity (Go SEA)

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