UCSF

ZINC18176990

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2008 33 No

Other Names:

MFCD00315551

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) 3.91 11.26 -10.11 0 6 0 81 457.869 2
Ref Reference (pH 7) 3.91 12.65 -17.32 0 6 0 81 457.869 2

Vendor Notes

Note Type Comments Provided By
mp 85 - 86 MolMall (formerly Molecular Diversity Preservation International)

Activity (Go SEA)

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