UCSF

ZINC20468961

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 19 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) 2.78 8.87 -38.46 1 3 1 21 276.791 2
Mid Mid (pH 6-8) 2.78 6.4 -7.11 0 3 0 19 275.783 2
Lo Low (pH 4.5-6) 2.78 9.2 -92.39 2 3 2 22 277.799 2

Activity (Go SEA)

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