UCSF

ZINC23249543

Substance Information

In ZINC since Heavy atoms Benign functionality
December 28th, 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) 2.14 6.72 -29.45 1 2 1 8 235.326 2
Hi High (pH 8-9.5) 2.14 4.45 -4.03 0 2 0 6 234.318 2

Activity (Go SEA)

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