UCSF

ZINC67513936

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2011 23 Yes

Popular Name: (5-chloro-2-hydroxy-phenyl)-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)methanone (5-chloro-2-hydroxy-phenyl)-(1,4…

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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) 2.43 4.83 -39.16 2 5 1 48 338.859 1 ↓
Hi High (pH 8-9.5) 2.43 3.74 -48.53 0 5 -1 50 336.843 1 ↓
Hi High (pH 8-9.5) 2.43 2.93 -7.52 1 5 0 47 337.851 1 ↓

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

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