| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 19 | Yes |
Popular Name: (3S)-1-[(1S,2S)-2-amino-1-(3-pyridyl)butyl]-N,N-dimethyl-pyrrolidin-3-amine (3S)-1-[(1S,2S)-2-amino-1-(3-pyr…
| 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) | 0.58 | 4.49 | -96.53 | 4 | 4 | 2 | 48 | 264.417 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.58 | 1.86 | -3.97 | 2 | 4 | 0 | 45 | 262.401 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.58 | 2.1 | -44.71 | 3 | 4 | 1 | 47 | 263.409 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.58 | 5.02 | -177.71 | 5 | 4 | 3 | 49 | 265.425 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
