UCSF

ZINC04982725

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2006 21 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) 3.92 11.32 -36.84 1 2 1 17 281.423 5
Lo Low (pH 4.5-6) 3.92 11.6 -101.98 2 2 2 19 282.431 5

Activity (Go SEA)

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