In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 20th, 2011 | 16 | Yes |
Popular Name: N-ethyl-3-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]propan-1-amine N-ethyl-3-[(3S)-3-pyrrolidin-1-y…
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) | 0.98 | 5.36 | -79.38 | 3 | 3 | 2 | 24 | 227.396 | 6 | ↓ |
Hi High (pH 8-9.5) | 0.98 | 2.96 | -36.01 | 2 | 3 | 1 | 23 | 226.388 | 6 | ↓ |
Lo Low (pH 4.5-6) | 0.98 | 7.81 | -184.77 | 4 | 3 | 3 | 25 | 228.404 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.