| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 2nd, 2010 | 20 | Yes |
Popular Name: [(3S)-3-[4-(cyclopropylmethyl)piperazin-1-yl]-1-isopropyl-pyrrolidin-3-yl]methanamine [(3S)-3-[4-(cyclopropylmethyl)pi…
| 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) | 0.80 | 5.72 | -187.88 | 5 | 4 | 3 | 40 | 283.484 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.80 | 1.09 | -42.6 | 3 | 4 | 1 | 37 | 281.468 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.80 | 3.36 | -100.71 | 4 | 4 | 2 | 39 | 282.476 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.80 | 3.47 | -105.18 | 4 | 4 | 2 | 39 | 282.476 | 5 | ↓ |
