UCSF

ZINC23641230

Substance Information

In ZINC since Heavy atoms Benign functionality
January 5th, 2009 19 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) 1.23 2.63 -20.15 2 6 0 84 281.337 5
Mid Mid (pH 6-8) 1.69 3.46 -47.06 2 6 0 92 281.337 5
Lo Low (pH 4.5-6) 1.23 4.02 -81.34 3 6 1 89 282.345 5

Activity (Go SEA)

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