UCSF

ZINC04118234

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2005 34 No

Other Names:

MFCD00169302

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) 5.29 5.43 -18.84 0 9 0 116 463.442 10

Vendor Notes

Note Type Comments Provided By
melting_point 132 - 133 KeyOrganics

Activity (Go SEA)

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