UCSF

ZINC22703921

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 26 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) 4.02 5.87 -24.87 2 7 0 89 350.378 2
Hi High (pH 8-9.5) 4.02 5.66 -48.7 1 7 -1 87 349.37 2

Activity (Go SEA)

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

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