UCSF

ZINC67983461

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2011 23 Yes

Popular Name: 5-methyl-9-(2-phenylsulfanylacetyl)-2,5,9-triazaspiro[5.5]undecan-1-one 5-methyl-9-(2-phenylsulfanylacet…

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Download: MOL2 SDF SMILES Flexibase

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) 1.18 4.08 -12.23 1 5 0 53 333.457 3 ↓
Lo Low (pH 4.5-6) 1.18 6.26 -53.09 2 5 1 54 334.465 3 ↓

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

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