UCSF

ZINC98214976

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2014 22 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) 4.08 11.11 -41.47 2 1 1 17 308.385 5
Hi High (pH 8-9.5) 4.08 9.82 -5.5 1 1 0 12 307.377 5

Vendor Notes

Note Type Comments Provided By
Melting_Point 115-117? Alfa-Aesar
Melting_Point 115-117° Alfa-Aesar

Activity (Go SEA)

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

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