UCSF

ZINC67755229

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2011 23 Yes

Popular Name: [(2S)-1-allylpyrrolidin-2-yl]-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)methanone [(2S)-1-allylpyrrolidin-2-yl]-(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) 1.11 6.68 -90.56 2 5 2 32 322.497 3 ↓
Hi High (pH 8-9.5) 1.11 4.64 -33.88 1 5 1 31 321.489 3 ↓
Hi High (pH 8-9.5) 1.11 2.39 -5.57 0 5 0 30 320.481 3 ↓

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

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