UCSF

ZINC05736666

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2006 26 Yes

Other Names:

MFCD00141209

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) 3.55 10.69 -19.57 1 5 0 56 364.836 3

Vendor Notes

Note Type Comments Provided By
melting_point 308 - 311 KeyOrganics

Activity (Go SEA)

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