UCSF

ZINC40866958

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 18 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) 1.22 4.51 -60.72 1 6 -1 92 248.214 2
Mid Mid (pH 6-8) 0.38 5.31 -152.22 0 6 -2 94 247.206 2

Activity (Go SEA)

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