UCSF

ZINC05090909

Substance Information

In ZINC since Heavy atoms Benign functionality
January 20th, 2006 23 No

Other Names:

MFCD00751254

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) 2.68 -2.91 -15.46 1 8 0 110 338.341 6
Hi High (pH 8-9.5) 2.68 -2.33 -45.47 0 8 -1 112 337.333 6

Activity (Go SEA)

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