UCSF

ZINC13282305

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 14th, 2008 17 Yes

Popular Name: LS-80489 LS-80489

Find On: PubMed — Wikipedia — Google

CAS Number: 102408-27-5

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) 2.18 6.52 -10.85 0 4 0 34 226.283 1 ↓
Mid Mid (pH 6-8) 2.18 6.9 -29.07 1 4 1 35 227.291 1 ↓
Lo Low (pH 4.5-6) 2.18 7.18 -80.27 2 4 2 36 228.299 1 ↓
Lo Low (pH 4.5-6) 2.18 6.8 -34.77 1 4 1 35 227.291 1 ↓

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Rings

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

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