UCSF

ZINC03104947

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2004 11 Yes

Other Names:

MFCD00794160

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) 0.24 6.55 -9.1 1 5 0 48 155.205 2

Vendor Notes

Note Type Comments Provided By
melting_point 170 - 173 KeyOrganics

Activity (Go SEA)

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

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