UCSF

ZINC70091320

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2011 18 Yes

Popular Name: (3S,6S,8S)-8-methyl-3-(3-methyl-2-thienyl)-4-oxa-1-azaspiro[5.5]undecane (3S,6S,8S)-8-methyl-3-(3-methyl-…

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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) 3.78 7.29 -38.38 2 2 1 26 266.43 1 ↓
Hi High (pH 8-9.5) 3.78 6.11 -3.08 1 2 0 21 265.422 1 ↓

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

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