UCSF

ZINC66449594

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2011 24 No

Popular Name: 2-(diethylamino)-1-[4-[[5-(dimethylamino)-2-thioxo-1,3,4-thiadiazol-3-yl]methyl]piperazin-1-yl]ethan 2-(diethylamino)-1-[4-[[5-(dimet…

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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) 0.62 7.64 -42.7 1 7 1 49 373.572 7 ↓
Hi High (pH 8-9.5) 0.62 5.64 -13.84 0 7 0 48 372.564 7 ↓
Lo Low (pH 4.5-6) 0.62 7.74 -80.14 2 7 2 50 374.58 7 ↓

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

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