UCSF

ZINC55161966

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 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) 2.87 12.74 -58 2 6 -1 94 437.475 5
Lo Low (pH 4.5-6) 2.87 13.92 -39.94 3 6 0 99 438.483 5

Activity (Go SEA)

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