UCSF

ZINC69792635

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 16 No

Popular Name: 4-[[(2S)-6-azaspiro[2.5]octan-2-yl]methyl]-1,4-thiazepane 4-[[(2S)-6-azaspiro[2.5]octan-2-…

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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) 1.52 7.88 -95.47 3 2 2 21 242.432 2 ↓
Hi High (pH 8-9.5) 1.52 5.94 -39.73 2 2 1 20 241.424 2 ↓

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

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