UCSF

ZINC12861221

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2008 23 No

Other Names:

MFCD03618054

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) 4.54 1.92 -8.62 0 2 0 20 346.257 2

Vendor Notes

Note Type Comments Provided By
melting_point 164 - 165 KeyOrganics

Activity (Go SEA)

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