UCSF

ZINC19903186

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 17 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) 3.36 7.36 -34.52 2 2 1 26 248.371 5
Hi High (pH 8-9.5) 3.36 6.01 -5.02 1 2 0 21 247.363 5

Activity (Go SEA)

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