UCSF

ZINC22703932

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 35 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) 4.27 6.83 -26.98 3 9 0 126 498.605 7
Lo Low (pH 4.5-6) 4.27 7.23 -54.56 4 9 1 127 499.613 7

Activity (Go SEA)

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