UCSF

ZINC55108516

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 25 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) 0.22 2.84 -15.32 2 8 0 101 348.403 9
Lo Low (pH 4.5-6) 0.22 2.87 -45.23 3 8 1 102 349.411 9

Activity (Go SEA)

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