UCSF

ZINC04002044

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2005 18 No

Other Names:

MFCD01935823

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) 1.77 -3.69 -12.41 0 5 0 63 309.796 4

Vendor Notes

Note Type Comments Provided By
melting_point 81 - 83 KeyOrganics

Activity (Go SEA)

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