| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2010 | 18 | Yes |
Popular Name: (2S)-1-pyrrolidin-1-yl-3-[[(1S)-1-(2-thienyl)propyl]amino]propan-2-ol (2S)-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 | 5.83 | -98.71 | 4 | 3 | 2 | 41 | 270.442 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.25 | 4.99 | -26.7 | 2 | 3 | 0 | 40 | 268.426 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.25 | 6.37 | -39.98 | 3 | 3 | 1 | 44 | 269.434 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.25 | 4.45 | -34.69 | 3 | 3 | 1 | 37 | 269.434 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.25 | 3.3 | -35.93 | 3 | 3 | 1 | 40 | 269.434 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
