UCSF

ZINC39318644

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 13 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) 1.42 6.41 -108.98 0 4 -2 80 186.207 5
Lo Low (pH 4.5-6) 1.42 4.43 -45.34 1 4 -1 77 187.215 5

Activity (Go SEA)

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