UCSF

ZINC13281627

Substance Information

In ZINC since Heavy atoms Benign functionality
June 14th, 2008 29 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 6.95 14.54 -11.37 0 4 0 59 376.415 3
Lo Low (pH 4.5-6) 6.95 14.77 -33.13 1 4 1 60 377.423 3

Activity (Go SEA)

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

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