| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 22nd, 2010 | 21 | Yes |
Popular Name: (2S)-N-(2-furylmethyl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine (2S)-N-(2-furylmethyl)-2-[4-(2,2…
| 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) | 1.93 | 4.09 | -42.98 | 2 | 4 | 1 | 36 | 306.352 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.93 | 2.72 | -4.64 | 1 | 4 | 0 | 32 | 305.344 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 1.93 | 5.91 | -124.44 | 3 | 4 | 2 | 37 | 307.36 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
