UCSF

ZINC22358569

Substance Information

In ZINC since Heavy atoms Benign functionality
December 15th, 2008 25 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) 5.42 8.48 -43.34 0 3 -1 45 457.753 4
Lo Low (pH 4.5-6) 4.96 9.57 -9.46 1 3 0 42 458.761 4

Activity (Go SEA)

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

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