UCSF

ZINC62801301

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2011 20 Yes

Popular Name: 5-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methylsulfanyl]-4-isopropyl-1,2,4-triazol-3-amine 5-[[(3S)-1,4-dioxaspiro[4.4]nona…

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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) 2.19 7.95 -11.26 2 6 0 75 298.412 4 ↓

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Rings

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

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