UCSF

ZINC01713354

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 13 Yes

Other Names:

MFCD00022616

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) 0.11 4.32 -9.73 2 4 0 68 176.223 2

Vendor Notes

Note Type Comments Provided By
melting_point 152 - 155 KeyOrganics

Activity (Go SEA)

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

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