| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 20 | No |
Popular Name: (3S)-1-[3-(chloromethyl)-1-isoquinolyl]-N,N-dimethyl-pyrrolidin-3-amine (3S)-1-[3-(chloromethyl)-1-isoqu…
| 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) | 3.46 | 10.44 | -39.71 | 1 | 3 | 1 | 21 | 290.818 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.46 | 8.05 | -7.28 | 0 | 3 | 0 | 19 | 289.81 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.46 | 10.86 | -84.13 | 2 | 3 | 2 | 22 | 291.826 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
