UCSF

ZINC98574451

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2015 23 Yes

Other Names:

MFCD28347969

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) 3.38 8.91 -11.49 0 4 0 50 342.342 4

Vendor Notes

Note Type Comments Provided By
melting_point 172 - 173 KeyOrganics

Activity (Go SEA)

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

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