UCSF

ZINC12856040

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2008 22 No

Other Names:

MFCD00169681

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) 5.85 1.56 -9 1 2 0 29 313.828 4

Vendor Notes

Note Type Comments Provided By
melting_point 187 - 189 KeyOrganics

Activity (Go SEA)

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