UCSF

ZINC25155878

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2009 21 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) 3.78 8.13 -10.32 1 3 0 42 276.339 2
Lo Low (pH 4.5-6) 3.85 7.14 -28.43 2 3 1 47 277.347 2

Activity (Go SEA)

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