UCSF

ZINC05947344

Substance Information

In ZINC since Heavy atoms Benign functionality
February 19th, 2006 24 No

Other Names:

MFCD01936366

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) 5.75 0.92 -9.44 1 3 0 42 358.224 4

Vendor Notes

Note Type Comments Provided By
melting_point 241 - 243 KeyOrganics

Activity (Go SEA)

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