| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 16 | Yes |
Popular Name: (3S)-N,N-dimethyl-1-(2-piperazin-1-ylethyl)pyrrolidin-3-amine (3S)-N,N-dimethyl-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) | -0.18 | 1.83 | -80.11 | 3 | 4 | 2 | 28 | 228.384 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.18 | -0.56 | -38.04 | 2 | 4 | 1 | 26 | 227.376 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.18 | 1.83 | -89.43 | 3 | 4 | 2 | 28 | 228.384 | 4 | ↓ |
| Lo Low (pH 4.5-6) | -0.18 | 4.21 | -169.26 | 4 | 4 | 3 | 29 | 229.392 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
