| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2010 | 21 | Yes |
Popular Name: (3R)-3-amino-1-[4-[(1S)-1-methylpropyl]piperazin-1-yl]-3-phenyl-propan-1-one (3R)-3-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) | 0.15 | 5.45 | -39.74 | 3 | 4 | 1 | 51 | 290.431 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.15 | 5.13 | -6.05 | 2 | 4 | 0 | 50 | 289.423 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.15 | 7.3 | -96.55 | 4 | 4 | 2 | 52 | 291.439 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
