UCSF

ZINC12956301

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2008 22 No

Download: MOL2 SDF SMILES Flexibase

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) 6.49 8.85 -4.42 1 3 0 46 463.94 2
Ref Reference (pH 7) 6.49 8.46 -5.67 1 3 0 46 463.94 2

Vendor Notes

Note Type Comments Provided By
melting_point 244 - 245 KeyOrganics

Activity (Go SEA)

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

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