UCSF

ZINC56871314

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 10th, 2011 43 No

Popular Name: 21761-48-8; Aralionine A; C09999 21761-48-8; Aralionine A; C09999

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CAS Number: 21761-48-8

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) 3.90 10.69 -16.37 3 9 0 117 582.701 8 ↓
Mid Mid (pH 6-8) 4.31 10 -49.51 3 9 -1 123 581.693 8 ↓
Lo Low (pH 4.5-6) 4.31 12.1 -69.23 4 9 0 124 582.701 8 ↓

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

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