UCSF

ZINC49530732

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2010 20 Yes

Popular Name: 2-[[[(1R)-1-(2-thienyl)propyl]amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[[[(1R)-1-(2-thienyl)propyl]am…

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Vendors

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) 3.23 3.82 -43.78 2 4 0 65 305.428 5 ↓
Hi High (pH 8-9.5) 3.23 2.44 -49.51 1 4 -1 61 304.42 5 ↓
Mid Mid (pH 6-8) 2.77 5.06 -13.35 2 4 0 58 305.428 5 ↓
Mid Mid (pH 6-8) 2.77 6.45 -49.07 3 4 1 62 306.436 5 ↓

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

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