UCSF

ZINC20528674

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2008 13 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) -0.04 -2.36 -91.45 0 6 -2 106 218.215 3
Lo Low (pH 4.5-6) -0.50 -1.81 -48.87 1 6 -1 103 219.223 3
Lo Low (pH 4.5-6) -0.04 -1.28 -51.3 1 6 -1 107 219.223 3

Activity (Go SEA)

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

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