UCSF

ZINC02557485

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 15 Yes

Other Names:

MFCD00202352

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) 1.41 4.82 -12.74 1 4 0 54 234.206 2
Mid Mid (pH 6-8) 1.41 4.65 -39.56 0 4 -1 53 233.198 2

Vendor Notes

Note Type Comments Provided By
melting_point 211 - 213 KeyOrganics

Activity (Go SEA)

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

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