UCSF

ZINC06446279

Substance Information

In ZINC since Heavy atoms Benign functionality
March 29th, 2006 25 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) 1.89 4.82 -61.77 1 5 -1 81 340.33 5
Mid Mid (pH 6-8) 2.33 -1.71 -17.81 2 5 0 77 341.338 4

Activity (Go SEA)

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