UCSF

ZINC36382114

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2009 23 No

Other Names:

MFCD02571315

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) 1.41 3.72 -16.77 1 6 0 79 336.413 5

Vendor Notes

Note Type Comments Provided By
melting_point 155 - 157 KeyOrganics

Activity (Go SEA)

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