| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 28th, 2011 | 18 | Yes |
Popular Name: (2S)-1-[(6-methyl-3-pyridyl)methylamino]-3-pyrrolidin-1-yl-propan-2-ol (2S)-1-[(6-methyl-3-pyridyl)meth…
| 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) | 0.10 | 4.19 | -110.07 | 4 | 4 | 2 | 54 | 251.374 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.10 | 2.82 | -37.11 | 3 | 4 | 1 | 50 | 250.366 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.10 | 1.65 | -46.09 | 3 | 4 | 1 | 53 | 250.366 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.10 | 4.72 | -45.94 | 3 | 4 | 1 | 57 | 250.366 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 0.10 | 4.63 | -182.99 | 5 | 4 | 3 | 55 | 252.382 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
