UCSF

ZINC04073630

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2005 29 No

Other Names:

MFCD00794246

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) 4.96 2.82 -12.05 0 4 0 44 380.447 6

Vendor Notes

Note Type Comments Provided By
melting_point 134 - 136 KeyOrganics

Activity (Go SEA)

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