| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 21 | Yes |
Popular Name: (3S)-N,N-dimethyl-1-[3-(methylaminomethyl)-1-isoquinolyl]pyrrolidin-3-amine (3S)-N,N-dimethyl-1-[3-(methylam…
| 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) | 2.44 | 9.08 | -86.4 | 3 | 4 | 2 | 37 | 286.423 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.44 | 5.24 | -5.59 | 1 | 4 | 0 | 31 | 284.407 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.44 | 5.65 | -21.86 | 2 | 4 | 1 | 33 | 285.415 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.44 | 6.68 | -38.48 | 2 | 4 | 1 | 36 | 285.415 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.44 | 8.05 | -80.31 | 3 | 4 | 2 | 34 | 286.423 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
