UCSF

ZINC67983145

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2011 24 Yes

Popular Name: 1-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-2-(1-methyltetrazol-5-yl)sulfanyl-ethanone 1-(3,7-dimethyl-3,7,11-triazaspi…

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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) 0.24 4.56 -48.84 1 8 1 72 354.504 3 ↓
Lo Low (pH 4.5-6) 0.24 6.82 -112.52 2 8 2 73 355.512 3 ↓

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Rings

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

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