UCSF

ZINC71555537

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 28 Yes

Popular Name: (2S)-4-acetyl-2-methyl-N-(5-methyl-6,7-dihydro-4H-thiazolo[5,4-c]pyridin-2-yl)-2,3-dihydro-1,4-benzo (2S)-4-acetyl-2-methyl-N-(5-meth…

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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) 2.68 3.55 -24.75 1 8 0 95 422.532 2 ↓
Mid Mid (pH 6-8) 2.68 5.98 -64.75 2 8 1 96 423.54 2 ↓
Mid Mid (pH 6-8) 1.75 3.07 -63.89 0 8 -1 94 421.524 3 ↓
Lo Low (pH 4.5-6) 1.75 5.53 -75.07 1 8 0 95 422.532 3 ↓

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

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