| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2010 | 21 | Yes |
Popular Name: (2R)-2-amino-1-[4-[(1S)-1-methylpropyl]piperazin-1-yl]-3-phenyl-propan-1-one (2R)-2-amino-1-[4-[(1S)-1-methyl…
| 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) | 1.43 | 6.69 | -43.16 | 3 | 4 | 1 | 51 | 290.431 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.43 | 5.15 | -41.5 | 3 | 4 | 1 | 51 | 290.431 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.43 | 4.84 | -6.29 | 2 | 4 | 0 | 50 | 289.423 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.43 | 7 | -101.12 | 4 | 4 | 2 | 52 | 291.439 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
