UCSF

ZINC84845465

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2013 13 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) 0.74 4.1 -49.85 0 4 -1 62 180.183 4
Lo Low (pH 4.5-6) 0.74 4.48 -29.01 1 4 0 63 181.191 4

Vendor Notes

Note Type Comments Provided By
Melting_Point 137? Alfa-Aesar

Activity (Go SEA)

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

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