UCSF

ZINC05008939

Substance Information

In ZINC since Heavy atoms Benign functionality
January 15th, 2006 17 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) 1.43 -6.69 -14.12 2 5 0 75 274.367 4
Hi High (pH 8-9.5) 1.43 -7.65 -50.08 2 5 -1 75 273.359 4

Activity (Go SEA)

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