UCSF

ZINC16578115

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2008 25 Yes

Popular Name: 5-(hydroxymethyl)-5-methyl-1'-(1-piperidylmethyl)spiro[1,3-dioxane-2,3'-indoline]-2'-one 5-(hydroxymethyl)-5-methyl-1'-(1…

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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) 1.93 6.03 -40.18 2 6 1 63 347.435 3 ↓
Mid Mid (pH 6-8) 1.93 3.76 -10.39 1 6 0 62 346.427 3 ↓

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

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