| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 21st, 2011 | 21 | Yes |
Popular Name: (1S)-1-(4-ethylphenyl)-2-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]ethanamine (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) | 0.92 | 7.16 | -31.17 | 3 | 3 | 1 | 34 | 288.459 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.92 | 4.76 | -2.02 | 2 | 3 | 0 | 32 | 287.451 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.92 | 5.07 | -40.61 | 3 | 3 | 1 | 34 | 288.459 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.92 | 7.64 | -97.27 | 4 | 3 | 2 | 35 | 289.467 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
