UCSF

ZINC01397791

Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2004 30 Yes

Other Names:

MFCD00665362

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) 5.46 -3.21 -15.43 1 6 0 75 465.358 7

Vendor Notes

Note Type Comments Provided By
melting_point 104 - 106 KeyOrganics

Activity (Go SEA)

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