UCSF

ZINC04092810

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 14 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) -2.02 -5.25 -45.3 5 5 0 108 197.19 3

Vendor Notes

Note Type Comments Provided By
melting_point 176 - 177 KeyOrganics

Activity (Go SEA)

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