UCSF

ZINC04665711

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2005 25 Yes

Other Names:

MFCD00753324

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) 4.76 1.55 -13.38 0 4 0 55 339.435 5
Mid Mid (pH 6-8) 4.76 4.11 -6.73 0 4 0 55 339.435 5
Mid Mid (pH 6-8) 4.76 2.55 -74.98 0 4 0 55 339.435 5
Mid Mid (pH 6-8) 4.92 4.33 -25.09 0 4 0 55 339.435 5

Activity (Go SEA)

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