UCSF

ZINC13888999

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 28th, 2008 35 Yes

Popular Name: LS-112032 LS-112032

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Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) 2.56 6.43 -32.4 4 10 1 117 482.561 6 ↓
Mid Mid (pH 6-8) 2.56 6.14 -15.58 3 10 0 115 481.553 6 ↓
Lo Low (pH 4.5-6) 2.56 7.01 -99.26 5 10 2 118 483.569 6 ↓
Lo Low (pH 4.5-6) 2.56 3.71 -99.44 5 10 2 118 483.569 6 ↓
Lo Low (pH 4.5-6) 2.56 8.39 -50.29 4 10 1 117 482.561 6 ↓

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

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