UCSF

ZINC43916029

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 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) 2.78 6.55 -100.8 3 3 2 30 232.412 10
Mid Mid (pH 6-8) 2.78 6.27 -31.29 2 3 1 26 231.404 10

Activity (Go SEA)

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