UCSF

ZINC20022416

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 21 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) 4.64 11.31 -119.51 3 2 2 21 296.543 6
Mid Mid (pH 6-8) 4.64 9.17 -36.67 2 2 1 20 295.535 6

Activity (Go SEA)

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