UCSF

ZINC41043416

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2010 16 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) 1.46 5.23 -37.88 2 3 1 33 238.38 3
Lo Low (pH 4.5-6) 1.46 5.45 -98.98 3 3 2 34 239.388 3

Activity (Go SEA)

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