In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 9th, 2011 | 19 | Yes |
Popular Name: 2-[[[(1R)-1-(3-thienyl)ethyl]amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[[[(1R)-1-(3-thienyl)ethyl]ami…
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) | 1.95 | 5.48 | -55.58 | 3 | 4 | 1 | 62 | 292.409 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.41 | 1.75 | -48.64 | 1 | 4 | -1 | 61 | 290.393 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.41 | 2.86 | -48.11 | 2 | 4 | 0 | 65 | 291.401 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.95 | 3.83 | -23.36 | 2 | 4 | 0 | 58 | 291.401 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.