| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 21st, 2011 | 21 | Yes |
Popular Name: (1R)-1-(2-aminophenyl)-2-[(3S)-3-(1-piperidyl)pyrrolidin-1-yl]ethanol (1R)-1-(2-aminophenyl)-2-[(3S)-3…
| 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) | 1.65 | 6.35 | -111.41 | 5 | 4 | 2 | 55 | 291.439 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.65 | 4.18 | -37.13 | 4 | 4 | 1 | 54 | 290.431 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.65 | 3.78 | -35.27 | 4 | 4 | 1 | 54 | 290.431 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
