UCSF

ZINC56871268

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 10th, 2011 20 No

Popular Name: 110342-24-0; C08475; Cucumopine 110342-24-0; C08475; Cucumopine

Find On: PubMed — Wikipedia — Google

CAS Number: 110342-24-0

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) -2.93 4.79 -159.01 3 9 -2 162 281.224 5 ↓
Hi High (pH 8-9.5) -2.93 4.3 -194.09 2 9 -3 161 280.216 5 ↓
Lo Low (pH 4.5-6) -2.93 5.88 -104.75 4 9 -1 167 282.232 5 ↓

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Rings

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

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