UCSF

ZINC05127418

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2006 21 Yes

Other Names:

MFCD03068957

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) 2.35 7.68 -9.77 1 4 0 49 280.327 2
Hi High (pH 8-9.5) 3.35 7.67 -42.65 1 4 -1 57 279.319 2

Activity (Go SEA)

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