UCSF

ZINC65336745

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 11th, 2011 35 No

Popular Name: N-1-Adamantyl-N'-[(9S)-cinchonan-9-yl]thiourea N-1-Adamantyl-N'-[(9S)-cinchonan…

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CAS Number:

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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) 6.70 14.49 -44.44 3 4 1 41 487.737 7 ↓
Hi High (pH 8-9.5) 6.70 12.33 -11.39 2 4 0 40 486.729 7 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

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Rings

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

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