| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 21st, 2011 | 18 | Yes |
Popular Name: (3S)-N,N-diethyl-1-(2-piperazin-1-ylethyl)pyrrolidin-3-amine (3S)-N,N-diethyl-1-(2-piperazin-…
| 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) | 0.57 | 2.89 | -78.63 | 3 | 4 | 2 | 28 | 256.438 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.57 | 0.73 | -37.64 | 2 | 4 | 1 | 26 | 255.43 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.57 | 5.26 | -170.97 | 4 | 4 | 3 | 29 | 257.446 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
