| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2010 | 16 | No |
Popular Name: (3R)-3-[[(1R)-1-(2-thienyl)propyl]amino]pyrrolidine-2,5-dione (3R)-3-[[(1R)-1-(2-thienyl)propy…
| 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) | 1.00 | 1.63 | -6.82 | 2 | 4 | 0 | 58 | 238.312 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.00 | 1.61 | -11.52 | 2 | 4 | 0 | 58 | 238.312 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.19 | -0.02 | -38.31 | 2 | 4 | 0 | 69 | 238.312 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.00 | 2.53 | -47.18 | 3 | 4 | 1 | 63 | 239.32 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.00 | 2.75 | -43.4 | 3 | 4 | 1 | 63 | 239.32 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.19 | 0.21 | -36.58 | 2 | 4 | 0 | 69 | 238.312 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
