UCSF

ZINC49568163

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 20 Yes

Popular Name: 2-[[[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[[[(1S,8R)-2,3,5,6,7,8-hexahyd…

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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) 0.95 4.19 -44.95 3 5 1 62 291.4 3 ↓
Hi High (pH 8-9.5) 1.40 0.23 -47.32 2 5 0 69 290.392 3 ↓
Mid Mid (pH 6-8) 1.40 2.74 -100.2 3 5 1 70 291.4 3 ↓
Mid Mid (pH 6-8) 0.95 4.85 -128.72 4 5 2 67 292.408 3 ↓

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Rings

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

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