UCSF

ZINC22358260

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 15th, 2008 28 No

Popular Name: 8-methyl-3-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dio 8-methyl-3-[[methyl-[(1-phenylpy…

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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) 0.73 6.69 -54.49 2 8 1 75 383.476 5 ↓
Mid Mid (pH 6-8) 0.36 5.25 -49.07 1 8 0 81 382.468 5 ↓
Lo Low (pH 4.5-6) 0.36 7.83 -56.32 2 8 1 82 383.476 5 ↓

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

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