UCSF

ZINC20385761

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 23 Yes

Other Names:

MFCD00794663

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) 3.40 9.57 -12.41 0 4 0 45 324.384 2

Vendor Notes

Note Type Comments Provided By
melting_point 139 - 141 KeyOrganics

Activity (Go SEA)

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