| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2010 | 20 | Yes |
Popular Name: [(3S)-1-isopropyl-3-[4-[(1R)-1-methylpropyl]piperazin-1-yl]pyrrolidin-3-yl]methanamine [(3S)-1-isopropyl-3-[4-[(1R)-1-m…
| 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) | 1.14 | 2.99 | -97.95 | 4 | 4 | 2 | 39 | 284.492 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.14 | 1.19 | -41.34 | 3 | 4 | 1 | 37 | 283.484 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.14 | 5.47 | -185.26 | 5 | 4 | 3 | 40 | 285.5 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
