UCSF

ZINC67725488

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2011 25 Yes

Popular Name: (2R)-2-(9-azaspiro[5.5]undecan-3-ylamino)-N-(5-fluoro-2-methyl-phenyl)propanamide (2R)-2-(9-azaspiro[5.5]undecan-3…

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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) 2.61 7.66 -97.2 5 4 2 62 349.494 4 ↓
Hi High (pH 8-9.5) 2.61 6.69 -46.4 4 4 1 58 348.486 4 ↓

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

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