UCSF

ZINC19431890

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 15 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) 2.83 7.62 -43.74 1 2 1 22 210.341 1
Hi High (pH 8-9.5) 2.83 5.42 -3.93 0 2 0 20 209.333 1

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.