UCSF

ZINC05818324

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 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) 2.19 5.92 -62.33 1 5 -1 81 336.367 5
Mid Mid (pH 6-8) 2.64 -1.85 -22.18 2 5 0 77 337.375 4
Mid Mid (pH 6-8) 1.61 -2.19 -13.59 1 5 0 74 337.375 5

Activity (Go SEA)

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