UCSF

ZINC12610360

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2008 19 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) 4.07 8.17 -9.96 2 3 0 52 269.373 1
Lo Low (pH 4.5-6) 4.07 8.39 -22.29 3 3 1 53 270.381 1
Lo Low (pH 4.5-6) 4.07 4.75 -21.63 3 3 1 53 270.381 1

Activity (Go SEA)

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