UCSF

ZINC84845547

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2013 15 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) 1.66 7.49 -10.51 0 4 0 44 204.229 4
Mid Mid (pH 6-8) 1.66 7.97 -31.57 1 4 1 45 205.237 4

Vendor Notes

Note Type Comments Provided By
Melting_Point 97-99? Alfa-Aesar

Activity (Go SEA)

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

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