UCSF

ZINC14245679

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2008 28 No

Popular Name: 8-methyl-3-[[4-(2-thienylsulfonyl)piperazin-1-yl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione 8-methyl-3-[[4-(2-thienylsulfony…

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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) 0.43 2.42 -56.6 2 9 1 94 428.56 4 ↓
Mid Mid (pH 6-8) 0.06 0.98 -47.68 1 9 0 101 427.552 4 ↓
Lo Low (pH 4.5-6) 0.06 3.43 -57.93 2 9 1 102 428.56 4 ↓

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

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