UCSF

ZINC00000400

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 18 No

Popular Name: Isobromindione (INN) Isobromindione (INN)

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CAS Number: 1470-35-5

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) 4.33 7.72 -41.78 0 2 -1 40 300.131 1 ↓
Mid Mid (pH 6-8) 3.65 7.71 -8.63 0 2 0 34 301.139 1 ↓
Mid Mid (pH 6-8) 4.33 6.75 -19.17 1 2 0 37 301.139 1 ↓

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

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