UCSF

ZINC04002883

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2005 20 Yes

Other Names:

MFCD01316121

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) 3.10 -3.73 -11.11 2 4 0 65 310.806 5

Vendor Notes

Note Type Comments Provided By
melting_point 198 - 200 KeyOrganics

Activity (Go SEA)

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