UCSF

ZINC02169568

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 20 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) -0.97 -2.72 -44.21 2 9 -1 144 280.216 6

Vendor Notes

Note Type Comments Provided By
MP 218 TCI
melting_point 222 - 223 KeyOrganics

Activity (Go SEA)

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