UCSF

ZINC04650731

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2005 25 Yes

Other Names:

MFCD02661706

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) 2.72 9.21 -52.45 0 5 -1 70 338.383 5

Vendor Notes

Note Type Comments Provided By
melting_point 226 - 228 KeyOrganics

Activity (Go SEA)

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