UCSF

ZINC69075108

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 18th, 2011 20 Yes

Popular Name: N-[(1S)-2-(3-azaspiro[5.5]undecan-3-yl)-1-cyclopropyl-ethyl]propan-1-amine N-[(1S)-2-(3-azaspiro[5.5]undeca…

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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) 4.25 10.82 -119.81 3 2 2 21 280.5 6 ↓
Hi High (pH 8-9.5) 4.25 10.89 -32.74 2 2 1 20 279.492 6 ↓
Hi High (pH 8-9.5) 4.25 9.98 -31.84 2 2 1 16 279.492 6 ↓

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

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