UCSF

ZINC52851241

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 24 Yes

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) 2.67 8.31 -12.33 0 5 0 42 326.396 5
Lo Low (pH 4.5-6) 2.67 9.06 -26.34 1 5 0 43 327.404 5

Activity (Go SEA)

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