UCSF

ZINC53511627

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2010 25 Yes

Popular Name: N-isopentyl-4-[(5-oxothiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazine-1-carboxamide N-isopentyl-4-[(5-oxothiazolo[3,…

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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) 2.58 6.16 -43.5 2 7 1 71 364.495 5 ↓
Hi High (pH 8-9.5) 2.58 6.35 -16.09 1 7 0 70 363.487 5 ↓
Mid Mid (pH 6-8) 2.58 8.45 -123.3 3 7 2 72 365.503 5 ↓
Lo Low (pH 4.5-6) 2.58 8.6 -54.41 2 7 1 71 364.495 5 ↓

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

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