UCSF

ZINC43447890

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 16 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) 0.98 3.55 -40.23 2 5 1 60 234.316 10
Mid Mid (pH 6-8) 0.98 1.33 -8.97 1 5 0 59 233.308 10

Activity (Go SEA)

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