UCSF

ZINC04168187

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2005 33 Yes

Other Names:

MFCD02232801

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) 4.65 -1.39 -16.46 1 6 0 77 446.547 6
Mid Mid (pH 6-8) 4.65 -2.02 -13.4 1 6 0 77 446.547 6
Mid Mid (pH 6-8) 4.82 -3.16 -12.19 1 6 0 77 446.547 6

Activity (Go SEA)

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