UCSF

ZINC01386810

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 23 Yes

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) 3.22 8.29 -9.15 1 5 0 56 329.787 5
Lo Low (pH 4.5-6) 3.22 8.76 -34.89 2 5 1 58 330.795 5

Vendor Notes

Note Type Comments Provided By
melting_point 223 - 225 KeyOrganics

Activity (Go SEA)

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

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