UCSF

ZINC39432314

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2010 25 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) -1.16 6.77 -104.7 3 7 0 102 347.346 2
Mid Mid (pH 6-8) -3.90 4.9 -87.32 4 7 1 105 348.354 1

Activity (Go SEA)

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