UCSF

ZINC52905216

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2010 21 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) 1.42 5.43 -7.02 3 5 0 75 304.781 5
Lo Low (pH 4.5-6) 1.42 5.62 -91.33 5 5 2 78 306.797 5
Lo Low (pH 4.5-6) 1.42 5.88 -38.43 4 5 1 76 305.789 5

Activity (Go SEA)

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

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