UCSF

ZINC70203094

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2011 9 No

Other Names:

MFCD19159789

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) 1.37 4.34 -37.76 2 1 1 17 144.263 0
Hi High (pH 8-9.5) 1.37 3.28 -2.18 1 1 0 12 143.255 0

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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

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