UCSF

ZINC01230368

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2004 22 Yes

Other Names:

MFCD00093656

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) 5.63 1.35 -9.28 0 1 0 12 281.358 2
Lo Low (pH 4.5-6) 5.63 1.47 -28.7 1 1 1 14 282.366 2

Vendor Notes

Note Type Comments Provided By
melting_point 176 - 177 KeyOrganics

Activity (Go SEA)

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