UCSF

ZINC04091431

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 29 Yes

Other Names:

MFCD02083218

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) 4.38 11.3 -11.84 0 4 0 41 402.881 2

Vendor Notes

Note Type Comments Provided By
melting_point 186 - 190 KeyOrganics

Activity (Go SEA)

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