UCSF

ZINC67975571

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 24 Yes

Popular Name: 5-[(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)methyl]-N-propyl-pyrimidin-2-amine 5-[(1,9-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) 1.49 6.22 -40.63 2 6 1 49 333.504 5 ↓
Mid Mid (pH 6-8) 1.49 8.47 -102.5 3 6 2 50 334.512 5 ↓
Mid Mid (pH 6-8) 1.49 6.07 -37.24 2 6 1 49 333.504 5 ↓
Mid Mid (pH 6-8) 1.49 8.12 -106.4 3 6 2 50 334.512 5 ↓

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Rings

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

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