UCSF

ZINC05541101

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2006 29 No

Other Names:

MFCD01314822

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) 5.07 12.81 -10.91 1 7 0 92 386.411 5
Ref Reference (pH 7) 5.07 12.69 -15.71 1 7 0 92 386.411 5

Vendor Notes

Note Type Comments Provided By
melting_point 223 - 225 KeyOrganics

Activity (Go SEA)

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