UCSF

ZINC40772168

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 18 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) 2.63 6.13 -38.2 2 3 1 29 268.45 5
Lo Low (pH 4.5-6) 2.63 7.34 -122.38 3 3 2 34 269.458 5

Activity (Go SEA)

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