| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 3rd, 2011 | 19 | Yes |
Popular Name: 3-[(1S)-1-[propyl-[(3R)-pyrrolidin-3-yl]amino]ethyl]benzonitrile 3-[(1S)-1-[propyl-[(3R)-pyrrolid…
| 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) | 2.81 | 6.69 | -42.16 | 2 | 3 | 1 | 40 | 258.389 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.81 | 6.66 | -46.18 | 2 | 3 | 1 | 44 | 258.389 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.81 | 5.01 | -4.3 | 1 | 3 | 0 | 39 | 257.381 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.81 | 8.12 | -125.1 | 3 | 3 | 2 | 45 | 259.397 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
