| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 21 | Yes |
Popular Name: (1S)-1-(4-ethylphenyl)-2-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]ethanol (1S)-1-(4-ethylphenyl)-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) | 2.62 | 9.31 | -109.02 | 3 | 3 | 2 | 29 | 290.451 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.62 | 6.91 | -35.86 | 2 | 3 | 1 | 28 | 289.443 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.62 | 6.75 | -33.91 | 2 | 3 | 1 | 28 | 289.443 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
