UCSF

ZINC01383350

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 17 Yes

Other Names:

MFCD00243361

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) 3.56 7.02 -11 0 3 0 31 243.697 1
Lo Low (pH 4.5-6) 3.56 7.4 -29.61 1 3 1 32 244.705 1

Vendor Notes

Note Type Comments Provided By
melting_point 182 - 184 KeyOrganics

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.