| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2010 | 20 | Yes |
Popular Name: (2S)-2-amino-1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-phenyl-propan-1-one (2S)-2-amino-1-[4-(2-hydroxyethy…
| 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) | 0.36 | -0.26 | -9.48 | 3 | 5 | 0 | 70 | 277.368 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.36 | 0 | -47.08 | 4 | 5 | 1 | 71 | 278.376 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.36 | 2.28 | -109.12 | 5 | 5 | 2 | 73 | 279.384 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
