UCSF

ZINC66448491

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2011 23 No

Popular Name: 5-(dimethylamino)-3-[[[1-(4-fluorophenyl)cyclopentyl]amino]methyl]-1,3,4-thiadiazole-2-thione 5-(dimethylamino)-3-[[[1-(4-fluo…

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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) 3.61 8.84 -33.4 2 4 1 34 353.512 5 ↓
Hi High (pH 8-9.5) 3.61 8.67 -8.59 1 4 0 33 352.504 5 ↓
Mid Mid (pH 6-8) 3.61 10.08 -106.2 3 4 2 39 354.52 5 ↓
Lo Low (pH 4.5-6) 3.61 9.95 -36.98 2 4 1 38 353.512 5 ↓

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

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