UCSF

ZINC01048107

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2004 27 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) 3.93 3.84 -17.4 2 4 0 58 390.283 6

Vendor Notes

Note Type Comments Provided By
melting_point 163 - 166 KeyOrganics
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

Activity (Go SEA)

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