UCSF

ZINC13282303

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 14th, 2008 18 No

Popular Name: LS-80163 LS-80163

Find On: PubMed — Wikipedia — Google

CAS Number: 124489-20-9

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) 2.40 6.7 -18.39 2 5 0 63 240.266 2 ↓
Mid Mid (pH 6-8) 2.40 7.19 -31.32 3 5 1 64 241.274 2 ↓
Lo Low (pH 4.5-6) 2.40 7.46 -94.44 4 5 2 65 242.282 2 ↓
Lo Low (pH 4.5-6) 2.40 6.97 -33.43 3 5 1 64 241.274 2 ↓

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

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