UCSF

ZINC34919272

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 36 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) 5.44 12.5 -57.8 0 7 -1 92 488.56 12
Lo Low (pH 4.5-6) 5.44 11.75 -12.43 1 7 0 89 489.568 12

Activity (Go SEA)

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