UCSF

ZINC07209248

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2006 24 No

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) 3.96 5.84 -14.43 1 5 0 60 346.452 5
Lo Low (pH 4.5-6) 3.96 6.75 -28.6 2 5 1 62 347.46 5

Activity (Go SEA)

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