UCSF

ZINC63752185

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 5th, 2011 23 No

Popular Name: (3S)-1-[(2S,7aR)-7-oxo-3,7a-dihydro-2H-thiazolo[4,5-d]pyrimidin-2-yl]-N-butyl-piperidine-3-carboxami (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) 0.74 2.38 -22.16 2 7 0 86 337.449 5 ↓
Hi High (pH 8-9.5) 0.74 1.59 -39.92 1 7 -1 88 336.441 5 ↓
Mid Mid (pH 6-8) 0.74 2.82 -52.57 3 7 1 88 338.457 5 ↓
Mid Mid (pH 6-8) 0.74 2.59 -51.44 3 7 1 88 338.457 5 ↓

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

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