UCSF

ZINC16682754

Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2008 30 No

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) 5.01 10.2 -14.87 0 6 0 64 425.916 6
Ref Reference (pH 7) 5.01 10.69 -12.64 0 6 0 64 425.916 6
Lo Low (pH 4.5-6) 5.01 12.5 -54.71 1 6 1 65 426.924 6
Lo Low (pH 4.5-6) 5.01 12.98 -52.01 1 6 1 65 426.924 6

Activity (Go SEA)

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