UCSF

ZINC70336268

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2011 20 Yes

Popular Name: (2S)-4-(9-azaspiro[5.5]undecan-9-yl)-2-(cyclopropylamino)butan-1-ol (2S)-4-(9-azaspiro[5.5]undecan-9…

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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) 2.51 6.79 -105.4 4 3 2 41 282.472 6 ↓
Mid Mid (pH 6-8) 2.51 4.56 -32.84 3 3 1 40 281.464 6 ↓

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Rings

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

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