UCSF

ZINC67513991

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2011 25 Yes

Popular Name: (3S)-1-[2-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)pyrimidin-4-yl]pyrrolidin-3-ol (3S)-1-[2-(1,4-dimethyl-1,4,9-tr…

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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) 1.07 6.34 -41.83 2 7 1 60 347.487 2 ↓
Hi High (pH 8-9.5) 1.07 6.54 -37.98 2 7 1 60 347.487 2 ↓
Hi High (pH 8-9.5) 1.07 4.29 -8.79 1 7 0 59 346.479 2 ↓
Mid Mid (pH 6-8) 1.07 6.65 -82.44 3 7 2 61 348.495 2 ↓

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Rings

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

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