UCSF

ZINC42896150

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 18 No

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) 0.75 1.38 -10.57 2 5 0 67 248.282 5
Mid Mid (pH 6-8) 0.94 0.08 -42.07 2 5 0 78 248.282 5

Activity (Go SEA)

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