UCSF

ZINC62956777

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 19 Yes

Popular Name: 4-(8-azaspiro[4.5]decan-8-ylmethyl)-2,5-dimethyl-pyrazol-3-amine 4-(8-azaspiro[4.5]decan-8-ylmeth…

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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) 1.83 7.5 -94.13 4 4 2 50 264.417 2 ↓
Hi High (pH 8-9.5) 1.83 5.12 -6.17 2 4 0 47 262.401 2 ↓
Mid Mid (pH 6-8) 1.83 5.25 -26.23 3 4 1 48 263.409 2 ↓
Mid Mid (pH 6-8) 1.83 7.37 -38.22 3 4 1 48 263.409 2 ↓

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

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