UCSF

ZINC37822297

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 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) 0.77 5.69 -41.92 2 5 1 49 292.403 6
Hi High (pH 8-9.5) 0.77 4.33 -8.25 1 5 0 45 291.395 6

Activity (Go SEA)

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