UCSF

ZINC05963164

Substance Information

In ZINC since Heavy atoms Benign functionality
February 20th, 2006 29 No

CAS Number: 57-87-4

Other Names:

MFCD00003623

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) 7.18 12.82 -2 1 1 0 20 396.659 4

Vendor Notes

Note Type Comments Provided By
MP 159 TCI

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

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