UCSF

ZINC70092695

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2011 18 Yes

Popular Name: 3-[(8S)-9-oxa-6-azaspiro[4.5]decan-8-yl]benzonitrile 3-[(8S)-9-oxa-6-azaspiro[4.5]dec…

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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) 2.73 6.77 -45.04 2 3 1 50 243.33 1 ↓
Hi High (pH 8-9.5) 2.73 5.61 -4.99 1 3 0 45 242.322 1 ↓

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

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