UCSF

ZINC96034540

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2014 18 Yes

Other Names:

MFCD27980884

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 0.82 5.17 -47.6 3 5 1 74 257.354 5
Hi High (pH 8-9.5) 0.82 5.28 -13.22 2 5 0 73 256.346 5

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.