UCSF

ZINC63110742

Substance Information

In ZINC since Heavy atoms Benign functionality
May 24th, 2011 32 Yes

Other Names:

MFCD00172729

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) 5.09 11.08 -12.96 1 4 0 36 439.481 6

Vendor Notes

Note Type Comments Provided By
melting_point 159 - 160 KeyOrganics

Activity (Go SEA)

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