UCSF

ZINC04084662

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2005 28 Yes

Other Names:

MFCD02083211

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) 3.93 10.62 -12.06 0 4 0 41 388.854 2

Vendor Notes

Note Type Comments Provided By
melting_point 167 - 169 KeyOrganics

Activity (Go SEA)

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