In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 24th, 2009 | 20 | Yes |
Popular Name: 2-[[[(2S)-1-ethylpyrrolidin-2-yl]methylamino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[[[(2S)-1-ethylpyrrolidin-2-yl…
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) | 1.20 | 4.93 | -43.06 | 3 | 5 | 1 | 62 | 293.416 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.66 | 2.31 | -53.22 | 2 | 5 | 0 | 65 | 292.408 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.20 | 6.3 | -133.83 | 4 | 5 | 2 | 67 | 294.424 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.66 | 3.67 | -99.58 | 3 | 5 | 1 | 70 | 293.416 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.