UCSF

ZINC05006738

Substance Information

In ZINC since Heavy atoms Benign functionality
January 15th, 2006 21 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) 2.89 6.65 -7.47 2 4 0 66 296.351 3
Hi High (pH 8-9.5) 3.40 5.63 -39.92 1 4 -1 63 295.343 3

Activity (Go SEA)

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