UCSF

ZINC06419726

Substance Information

In ZINC since Heavy atoms Benign functionality
March 27th, 2006 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) 0.96 0.43 -13.56 1 9 0 126 255.186 2
Mid Mid (pH 6-8) 0.60 -2.42 -18.47 1 9 0 125 255.186 2

Activity (Go SEA)

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