UCSF

ZINC17994322

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2008 20 Yes

Other Names:

MFCD01814709

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) 4.12 9.23 -9.19 2 4 0 58 265.316 2

Vendor Notes

Note Type Comments Provided By
melting_point 280 - 282 KeyOrganics

Activity (Go SEA)

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

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