UCSF

ZINC25721127

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2009 22 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) 1.03 1.25 -16.23 1 6 0 76 326.418 7
Mid Mid (pH 6-8) 1.03 3.52 -50.05 2 6 1 77 327.426 7

Activity (Go SEA)

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