UCSF

ZINC01386143

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 15 Yes

Other Names:

MFCD03012160

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) 2.77 -0.58 -13.98 0 3 0 30 280.15 1
Mid Mid (pH 6-8) 2.77 -0.36 -30.47 1 3 1 31 281.158 1

Vendor Notes

Note Type Comments Provided By
melting_point 209 - 211 KeyOrganics

Activity (Go SEA)

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

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