UCSF

ZINC69921414

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 23 Yes

Popular Name: 5-chloro-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)indazole-3-carbonitrile 5-chloro-1-(1,4-dioxa-8-azaspiro…

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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) 2.64 5.97 -8.8 0 6 0 63 332.791 2 ↓
Lo Low (pH 4.5-6) 2.64 8.27 -49.42 1 6 1 65 333.799 2 ↓

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

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