UCSF

ZINC34541500

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 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) 5.42 8.58 -3.84 1 2 0 23 249.398 9
Lo Low (pH 4.5-6) 5.42 8.62 -20.85 2 2 0 25 250.406 9

Activity (Go SEA)

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