UCSF

ZINC63752172

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 5th, 2011 26 No

Popular Name: (3S)-1-[(2S,7aR)-7-oxo-3,7a-dihydro-2H-thiazolo[4,5-d]pyrimidin-2-yl]-N-(4-chlorophenyl)piperidine-3 (3S)-1-[(2S,7aR)-7-oxo-3,7a-dihy…

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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) 1.68 4.25 -23.33 2 7 0 86 391.884 3 ↓
Hi High (pH 8-9.5) 1.68 3.46 -40.47 1 7 -1 88 390.876 3 ↓
Mid Mid (pH 6-8) 1.68 4.68 -54.7 3 7 1 88 392.892 3 ↓
Mid Mid (pH 6-8) 1.68 4.46 -53.31 3 7 1 88 392.892 3 ↓

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

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