| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 22nd, 2010 | 17 | Yes |
Popular Name: (2S)-N-allyl-2-[4-(cyclopropylmethyl)piperazin-1-yl]propan-1-amine (2S)-N-allyl-2-[4-(cyclopropylme…
| 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) | 1.51 | 6.79 | -92.11 | 3 | 3 | 2 | 24 | 239.407 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.51 | 5.41 | -33.12 | 2 | 3 | 1 | 20 | 238.399 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.51 | 4.52 | -35.53 | 2 | 3 | 1 | 23 | 238.399 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.51 | 3.13 | -0.77 | 1 | 3 | 0 | 19 | 237.391 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
