| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 21st, 2010 | 16 | Yes |
Popular Name: N-[2-[4-(cyclopropylmethyl)piperazin-1-yl]ethyl]prop-2-en-1-amine N-[2-[4-(cyclopropylmethyl)piper…
| 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) | 1.18 | 5.76 | -89.21 | 3 | 3 | 2 | 24 | 225.38 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.18 | 2.1 | -1.27 | 1 | 3 | 0 | 19 | 223.364 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.18 | 4.38 | -32.55 | 2 | 3 | 1 | 20 | 224.372 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.18 | 3.48 | -37.45 | 2 | 3 | 1 | 23 | 224.372 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
