UCSF

ZINC84845530

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2013 14 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) 1.29 6.72 -12.08 0 4 0 44 190.202 3
Mid Mid (pH 6-8) 1.29 7.21 -32.12 1 4 1 45 191.21 3

Vendor Notes

Note Type Comments Provided By
Melting_Point 133-135? Alfa-Aesar

Activity (Go SEA)

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

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