UCSF

ZINC04118247

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2005 35 No

Other Names:

MFCD00169319

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) 7.04 6.07 -16.55 0 6 0 71 474.553 10

Vendor Notes

Note Type Comments Provided By
melting_point 154 - 156 KeyOrganics

Activity (Go SEA)

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