UCSF

ZINC62958640

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 18 Yes

Popular Name: [4-(8-azaspiro[4.5]decan-8-ylmethyl)thiazol-2-yl]methanamine [4-(8-azaspiro[4.5]decan-8-ylmet…

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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) 1.71 5.92 -96.91 4 3 2 45 267.442 3 ↓
Hi High (pH 8-9.5) 1.71 3.23 -3.78 2 3 0 42 265.426 3 ↓
Mid Mid (pH 6-8) 1.71 5.51 -34.03 3 3 1 43 266.434 3 ↓

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

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