UCSF

ZINC34570207

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 25 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) 5.31 10.83 -26.78 1 4 1 47 352.483 3
Lo Low (pH 4.5-6) 5.31 11.28 -88.64 2 4 2 49 353.491 3

Activity (Go SEA)

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