UCSF

ZINC67725314

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2011 23 Yes

Popular Name: 3-[(2-isopropylpyrimidin-4-yl)methyl]-7-methyl-3,7,10-triazaspiro[5.5]undecan-11-one 3-[(2-isopropylpyrimidin-4-yl)me…

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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) 0.66 1.31 -8.37 1 6 0 61 317.437 3 ↓
Mid Mid (pH 6-8) 0.66 3.49 -43.96 2 6 1 63 318.445 3 ↓
Mid Mid (pH 6-8) 0.66 3.54 -33.77 2 6 1 63 318.445 3 ↓

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

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