| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 10th, 2011 | 20 | Yes |
Popular Name: (3S)-2-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic (3S)-2-(2-pyrrolidin-1-ylethyl)-…
| 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) | -0.06 | 10.42 | -76.22 | 2 | 4 | 1 | 49 | 275.372 | 4 | ↓ |
| Hi High (pH 8-9.5) | -0.06 | 7.97 | -30.18 | 1 | 4 | 0 | 48 | 274.364 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.06 | 8.23 | -49.3 | 1 | 4 | 0 | 48 | 274.364 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
