| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2010 | 18 | Yes |
Popular Name: (2R)-1-pyrrolidin-1-yl-3-[[(1S)-1-(2-thienyl)propyl]amino]propan-2-ol (2R)-1-pyrrolidin-1-yl-3-[[(1S)-…
| 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) | 2.25 | 6.11 | -98.55 | 4 | 3 | 2 | 41 | 270.442 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.25 | 5.14 | -26.87 | 2 | 3 | 0 | 40 | 268.426 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.25 | 6.64 | -34.58 | 3 | 3 | 1 | 44 | 269.434 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.25 | 4.64 | -35 | 3 | 3 | 1 | 37 | 269.434 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.25 | 3.61 | -35.68 | 3 | 3 | 1 | 40 | 269.434 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
