UCSF

ZINC21670605

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 20 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) 0.78 3.43 -17.75 0 6 0 60 294.38 2
Lo Low (pH 4.5-6) 0.78 5.82 -62.72 1 6 1 61 295.388 2

Activity (Go SEA)

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