UCSF

ZINC62952327

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 21 Yes

Popular Name: (1R)-1-[4-(aminomethyl)phenyl]-2-(8-azaspiro[4.5]decan-8-yl)ethanol (1R)-1-[4-(aminomethyl)phenyl]-2…

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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) 2.23 6.29 -92.7 5 3 2 52 290.451 4 ↓
Hi High (pH 8-9.5) 2.23 5.89 -37.57 4 3 1 51 289.443 4 ↓

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

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