UCSF

ZINC01400814

Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2004 24 Yes

Other Names:

MFCD00243499

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) 5.10 3.57 -6.68 0 3 0 34 356.413 5

Vendor Notes

Note Type Comments Provided By
melting_point 97 - 100 KeyOrganics

Activity (Go SEA)

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