| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 20 | Yes |
Popular Name: [1-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-isoquinolyl]methanol [1-[(3S)-3-(dimethylamino)pyrrol…
| 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) | 2.22 | 6.7 | -41.28 | 2 | 4 | 1 | 41 | 272.372 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.22 | 4.32 | -7.94 | 1 | 4 | 0 | 40 | 271.364 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.22 | 7.13 | -84.05 | 3 | 4 | 2 | 42 | 273.38 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
