UCSF

ZINC54899503

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 21 Yes

Popular Name: (7R)-N7-ethyl-N2-methyl-N2-(1-methyl-4-piperidyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7R)-N7-ethyl-N2-methyl-N2-(1-me…

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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) 2.69 8.98 -80.73 3 4 2 37 310.511 4 ↓
Hi High (pH 8-9.5) 2.69 7.65 -39.37 2 4 1 33 309.503 4 ↓
Mid Mid (pH 6-8) 2.69 9.31 -158.19 4 4 3 38 311.519 4 ↓

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

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