UCSF

ZINC06289377

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2006 32 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) 3.77 0.49 -12.66 0 6 0 70 466.946 7
Lo Low (pH 4.5-6) 3.77 0.6 -41.55 1 6 1 71 467.954 7

Activity (Go SEA)

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