UCSF

ZINC20176622

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 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) 2.01 2.83 -10.17 2 4 0 65 248.326 8
Lo Low (pH 4.5-6) 2.01 4.09 -51.67 3 4 1 70 249.334 8

Activity (Go SEA)

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