UCSF

ZINC13406338

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 18th, 2008 16 No

Popular Name: Salicylidene p-Bromoaniline Salicylidene p-Bromoaniline

Find On: PubMed — Wikipedia — Google

CAS Numbers: 886-34-0 , [886-34-0]

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) 4.22 6.03 -5.87 1 2 0 33 276.133 2 ↓
Hi High (pH 8-9.5) 4.22 6.8 -45 0 2 -1 35 275.125 2 ↓
Hi High (pH 8-9.5) 4.22 5.6 -36.79 0 2 -1 35 275.125 2 ↓
Lo Low (pH 4.5-6) 4.22 6.99 -35.85 2 2 1 34 277.141 2 ↓
Lo Low (pH 4.5-6) 4.22 5.26 -34.44 2 2 1 34 277.141 2 ↓

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Rings

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

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