UCSF

ZINC00833919

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2005 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) 4.56 0.31 -9.13 1 5 0 56 350.205 4

Vendor Notes

Note Type Comments Provided By
melting_point 271 - 273 KeyOrganics

Activity (Go SEA)

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