UCSF

ZINC54905600

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 20 Yes

Popular Name: (7S)-N2,N7-dimethyl-N2-[(3R)-1-methyl-3-piperidyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7S)-N2,N7-dimethyl-N2-[(3R)-1-m…

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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) 2.32 8.12 -82.11 3 4 2 37 296.484 3 ↓
Hi High (pH 8-9.5) 2.32 6.71 -37.61 2 4 1 33 295.476 3 ↓
Hi High (pH 8-9.5) 2.32 4.33 -7.14 1 4 0 31 294.468 3 ↓
Lo Low (pH 4.5-6) 2.32 8.45 -162.44 4 4 3 38 297.492 3 ↓

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Rings

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

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