UCSF

ZINC62952651

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: [(3S)-3-(8-azaspiro[4.5]decan-8-yl)-1-isopropyl-pyrrolidin-3-yl]methanamine [(3S)-3-(8-azaspiro[4.5]decan-8-…

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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) 1.92 5.9 -26.51 3 3 1 34 280.48 3 ↓
Hi High (pH 8-9.5) 1.92 4.23 -0.18 2 3 0 32 279.472 3 ↓
Mid Mid (pH 6-8) 1.92 6.37 -124.24 4 3 2 35 281.488 3 ↓
Mid Mid (pH 6-8) 1.92 7.68 -100.42 4 3 2 35 281.488 3 ↓
Lo Low (pH 4.5-6) 1.92 8.09 -230.48 5 3 3 37 282.496 3 ↓

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

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