UCSF

ZINC04954658

Substance Information

In ZINC since Heavy atoms Benign functionality
January 12th, 2006 26 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) 3.65 6.13 -41.23 1 8 -1 124 352.326 5
Mid Mid (pH 6-8) 3.65 5.18 -54.85 1 8 -1 124 352.326 5
Mid Mid (pH 6-8) 3.19 7.78 -16.36 2 8 0 121 353.334 5

Activity (Go SEA)

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