UCSF

ZINC13975448

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2008 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) 1.79 3.98 -38.19 1 4 1 30 248.35 2
Lo Low (pH 4.5-6) 1.79 4.27 -88.78 2 4 2 31 249.358 2

Activity (Go SEA)

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