UCSF

ZINC04118677

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2005 24 No

Other Names:

MFCD03418865

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 6.83 2.14 -6.26 0 1 0 17 357.28 2

Vendor Notes

Note Type Comments Provided By
melting_point 133 - 134 KeyOrganics

Activity (Go SEA)

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