UCSF

ZINC19925491

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 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) 4.92 6.74 -43.65 1 5 -1 74 387.868 5
Mid Mid (pH 6-8) 4.92 7.15 -20.05 2 5 0 71 388.876 5

Activity (Go SEA)

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