UCSF

ZINC07892919

Substance Information

In ZINC since Heavy atoms Benign functionality
June 24th, 2006 20 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) 4.46 6.65 -6.14 2 4 0 57 350.603 2
Hi High (pH 8-9.5) 4.92 4.75 -39.15 1 4 -1 60 349.595 2

Activity (Go SEA)

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