UCSF

ZINC12358888

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2008 10 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) 1.47 2.02 -12.22 0 4 0 52 158.182 3

Vendor Notes

Note Type Comments Provided By
Melting_Point 83-84? Alfa-Aesar
Melting_Point 83-84° Alfa-Aesar

Activity (Go SEA)

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

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