UCSF

ZINC38241396

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2010 33 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) 3.74 9.2 -62.36 0 7 -1 88 450.511 9
Lo Low (pH 4.5-6) 3.74 8.46 -14.57 1 7 0 85 451.519 9

Activity (Go SEA)

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