UCSF

ZINC66157222

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2011 33 No

Popular Name: N4-(7-chloro-4-quinolyl)-N1-(3,3-dimethyl-1,4,5-trioxaspiro[5.5]undecan-9-yl)-N1-methyl-cyclohexane- N4-(7-chloro-4-quinolyl)-N1-(3,3…

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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) 5.87 11.84 -90.94 3 6 2 58 476.061 4 ↓
Hi High (pH 8-9.5) 5.87 11.42 -49.65 2 6 1 57 475.053 4 ↓

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

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