UCSF

ZINC08782042

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2007 30 No

Other Names:

MFCD04125121

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) 5.25 0.92 -11.28 0 4 0 46 443.996 5

Vendor Notes

Note Type Comments Provided By
melting_point 127 - 129 KeyOrganics

Activity (Go SEA)

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