UCSF

ZINC66449335

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2011 20 No

Popular Name: 5-(dimethylamino)-3-[[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methyl]-1,3,4-thiadiazole-2-thione 5-(dimethylamino)-3-[[(3S)-3-pyr…

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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) 1.18 7.11 -40.38 1 5 1 29 314.504 4 ↓
Hi High (pH 8-9.5) 1.18 4.66 -9.09 0 5 0 28 313.496 4 ↓
Lo Low (pH 4.5-6) 1.18 7.22 -83.69 2 5 2 30 315.512 4 ↓

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

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