UCSF

ZINC22703033

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 34 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) 1.96 7.61 -18.89 2 8 0 81 486.569 8
Lo Low (pH 4.5-6) 1.96 9.59 -57.18 3 8 1 82 487.577 8

Activity (Go SEA)

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

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