UCSF

ZINC49538790

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 21 Yes

Popular Name: (1S)-1-(2,4-dimethylthiazol-5-yl)-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]ethanamine (1S)-1-(2,4-dimethylthiazol-5-yl…

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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) 2.33 6.5 -43.68 3 3 1 42 302.467 4 ↓
Hi High (pH 8-9.5) 2.33 5.3 -5.66 2 3 0 37 301.459 4 ↓
Mid Mid (pH 6-8) 2.33 7.72 -136.88 4 3 2 46 303.475 4 ↓
Lo Low (pH 4.5-6) 2.33 6.5 -43.21 3 3 1 42 302.467 4 ↓

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

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