UCSF

ZINC49360176

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 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) 1.92 4.8 -9.07 1 3 0 38 229.226 5
Mid Mid (pH 6-8) 1.92 6.06 -43.83 2 3 1 43 230.234 5

Activity (Go SEA)

Rings

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