UCSF

ZINC67973560

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 26 Yes

Popular Name: [2-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)-3-pyridyl]-pyrrolidin-1-yl-methanone [2-(1,4-dimethyl-1,4,9-triazaspi…

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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) 0.84 7.57 -35.32 1 6 1 44 358.51 2 ↓
Hi High (pH 8-9.5) 0.84 7.38 -36.52 1 6 1 44 358.51 2 ↓
Hi High (pH 8-9.5) 0.84 5.33 -9.66 0 6 0 43 357.502 2 ↓
Lo Low (pH 4.5-6) 0.84 8.06 -89.04 2 6 2 45 359.518 2 ↓

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Rings

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

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