| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 21st, 2011 | 18 | Yes |
Popular Name: [(3S)-3-(diethylamino)pyrrolidin-1-yl]-piperazin-1-yl-methanone [(3S)-3-(diethylamino)pyrrolidin…
| 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) | 0.44 | 4.68 | -95.01 | 3 | 5 | 2 | 45 | 256.394 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.44 | 1.23 | -9.21 | 1 | 5 | 0 | 39 | 254.378 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.44 | 3.36 | -42.73 | 2 | 5 | 1 | 40 | 255.386 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
