UCSF

ZINC23094272

Substance Information

In ZINC since Heavy atoms Benign functionality
December 25th, 2008 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) 0.91 4.96 -39.72 2 3 1 29 218.324 3
Lo Low (pH 4.5-6) 0.91 5.43 -81.01 3 3 2 31 219.332 3

Activity (Go SEA)

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