UCSF

ZINC20004050

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 20 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) 2.48 4.32 -17.5 2 4 0 45 304.444 3
Lo Low (pH 4.5-6) 2.48 4.72 -46.41 3 4 1 47 305.452 3

Activity (Go SEA)

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

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