| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 5th, 2010 | 19 | Yes |
Popular Name: (2S)-1-pyrrolidin-1-yl-3-[[(1S)-1-(2-thienyl)butyl]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) | 2.80 | 6.61 | -100.36 | 4 | 3 | 2 | 41 | 284.469 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.80 | 7.13 | -40.53 | 3 | 3 | 1 | 44 | 283.461 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.80 | 4.07 | -36.91 | 3 | 3 | 1 | 40 | 283.461 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.80 | 5.58 | -33.23 | 3 | 3 | 1 | 37 | 283.461 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
