| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 19th, 2009 | 17 | Yes |
Popular Name: (3S)-1-[3-(4-ethylpiperazin-1-yl)propyl]pyrrolidin-3-amine (3S)-1-[3-(4-ethylpiperazin-1-yl…
| 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) | -0.09 | 3.82 | -79.59 | 4 | 4 | 2 | 38 | 242.411 | 5 | ↓ |
| Hi High (pH 8-9.5) | -0.09 | 1.83 | -113.78 | 4 | 4 | 2 | 39 | 242.411 | 5 | ↓ |
| Hi High (pH 8-9.5) | -0.09 | -0.89 | -43.98 | 3 | 4 | 1 | 37 | 241.403 | 5 | ↓ |
| Mid Mid (pH 6-8) | -0.09 | 4.1 | -193.01 | 5 | 4 | 3 | 40 | 243.419 | 5 | ↓ |
| Mid Mid (pH 6-8) | -0.09 | 1.43 | -89 | 4 | 4 | 2 | 39 | 242.411 | 5 | ↓ |
| Lo Low (pH 4.5-6) | -0.09 | 4 | -170.98 | 5 | 4 | 3 | 40 | 243.419 | 5 | ↓ |
