UCSF

ZINC01390571

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 14 Yes

Other Names:

MFCD04125462

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) 2.43 0.25 -7.27 1 3 0 34 183.214 1

Vendor Notes

Note Type Comments Provided By
melting_point 129 - 131 KeyOrganics

Activity (Go SEA)

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

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