| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 27th, 2010 | 20 | Yes |
Popular Name: (3R)-3-[4-(3-pyrrolidin-1-ylpropyl)piperazin-1-yl]pentan-1-amine (3R)-3-[4-(3-pyrrolidin-1-ylprop…
| 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) | 0.88 | 5.73 | -171.82 | 5 | 4 | 3 | 40 | 285.5 | 8 | ↓ |
| Hi High (pH 8-9.5) | 0.88 | 3.61 | -32.95 | 3 | 4 | 1 | 37 | 283.484 | 8 | ↓ |
| Hi High (pH 8-9.5) | 0.88 | 3.98 | -82.93 | 4 | 4 | 2 | 39 | 284.492 | 8 | ↓ |
| Mid Mid (pH 6-8) | 0.88 | 6.24 | -169.45 | 5 | 4 | 3 | 40 | 285.5 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
