UCSF

ZINC06014769

Substance Information

In ZINC since Heavy atoms Benign functionality
February 24th, 2006 27 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) 2.96 9.73 -54.33 0 7 -1 106 363.349 6
Mid Mid (pH 6-8) 2.37 1.47 -20.97 0 7 0 100 364.357 6
Mid Mid (pH 6-8) 3.40 8.66 -26.6 1 7 0 103 364.357 5

Activity (Go SEA)

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