UCSF

ZINC67954372

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 26 Yes

Popular Name: (3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-(1-methylindol-2-yl)methanone (3,7-dimethyl-3,7,11-triazaspiro…

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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) 2.56 8.32 -46.74 1 5 1 33 355.506 1 ↓
Lo Low (pH 4.5-6) 2.56 10.59 -111.1 2 5 2 34 356.514 1 ↓

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

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