UCSF

ZINC43794487

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2010 13 No

CAS Number: 942-89-2

Other Names:

MFCD00059364

MFCD00191697

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 7.03 -11.33 0 3 0 39 177.203 3

Vendor Notes

Note Type Comments Provided By
BP 120 / 1.5 TCI
MP 42 TCI

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

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