UCSF

ZINC15777334

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2008 16 No

Other Names:

MFCD00118033

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) 1.09 1.39 -38.73 1 4 -1 69 231.256 1
Lo Low (pH 4.5-6) 0.64 2.41 -11.06 2 4 0 66 232.264 1
Lo Low (pH 4.5-6) 1.09 1.4 -38.32 1 4 -1 69 231.256 1

Activity (Go SEA)

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