UCSF

ZINC01396759

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 29 Yes

Other Names:

MFCD00244895

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) 4.37 -2.12 -45.9 2 5 1 49 411.888 4

Vendor Notes

Note Type Comments Provided By
melting_point 152 - 153 KeyOrganics

Activity (Go SEA)

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