UCSF

ZINC01373183

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 39 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) 2.11 7.75 -21.72 1 11 0 121 530.585 12
Lo Low (pH 4.5-6) 2.11 9.86 -63.39 2 11 1 122 531.593 12

Activity (Go SEA)

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

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