UCSF

ZINC14245598

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2008 27 No

Popular Name: 3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-5-(isobutylamino)-1,3,4-thiadiazole-2-thione 3-[[4-(benzenesulfonyl)piperazin…

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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) 2.31 6.54 -15.51 1 7 0 70 427.621 7 ↓
Lo Low (pH 4.5-6) 2.31 6.66 -49.45 2 7 1 72 428.629 7 ↓

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

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