UCSF

ZINC17729763

Substance Information

In ZINC since Heavy atoms Benign functionality
September 24th, 2008 17 No

Other Names:

MFCD01419571

MFCD01595130

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) 1.69 3.77 -16.79 1 5 0 63 249.295 4
Ref Reference (pH 7) 1.16 4.74 -10.78 1 5 0 63 249.295 3
Mid Mid (pH 6-8) 1.69 4.85 -31.38 2 5 1 65 250.303 4

Activity (Go SEA)

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