UCSF

ZINC36194001

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 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) -0.78 -1.42 -9.33 3 5 0 73 248.282 1
Lo Low (pH 4.5-6) -0.78 -0.78 -43.56 4 5 1 74 249.29 1

Activity (Go SEA)

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