UCSF

ZINC49565351

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 21 Yes

Popular Name: 2-[[[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[[[(1R,8aR)-1,2,3,5,6,7,8,8a-o…

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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) 1.45 5.35 -43.24 3 5 1 62 305.427 3 ↓
Hi High (pH 8-9.5) 1.91 1.73 -48.03 2 5 0 69 304.419 3 ↓
Mid Mid (pH 6-8) 1.45 6.1 -130.5 4 5 2 67 306.435 3 ↓
Mid Mid (pH 6-8) 1.91 3.99 -98.35 3 5 1 70 305.427 3 ↓

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Rings

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

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