UCSF

ZINC67435168

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 9th, 2011 24 Yes

Popular Name: 3-(2-isopropyl-4-methyl-pyrimidine-5-carbonyl)-3,7,10-triazaspiro[5.5]undecan-11-one 3-(2-isopropyl-4-methyl-pyrimidi…

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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) -0.46 1.43 -10.15 2 7 0 87 331.42 2 ↓
Mid Mid (pH 6-8) -0.46 2.59 -54.58 3 7 1 92 332.428 2 ↓

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

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