UCSF

ZINC48265872

Substance Information

In ZINC since Heavy atoms Benign functionality
September 13th, 2010 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) 2.93 7.59 -33.56 2 2 1 16 233.379 5
Lo Low (pH 4.5-6) 2.93 8.78 -113.41 3 2 2 21 234.387 5

Activity (Go SEA)

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