UCSF

ZINC13031054

Substance Information

In ZINC since Heavy atoms Benign functionality
May 24th, 2008 28 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) 5.37 12.27 -17.15 1 5 0 56 379.504 10
Mid Mid (pH 6-8) 5.37 12.56 -38.58 2 5 1 57 380.512 10

Activity (Go SEA)

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