UCSF

ZINC02015441

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2004 8 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.18 0.71 -30.28 1 2 1 23 114.168 0

Vendor Notes

Note Type Comments Provided By
Boiling_Point 45-47?/12mm Alfa-Aesar
Boiling_Point 45-47°/12mm Alfa-Aesar

Activity (Go SEA)

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

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