| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 8th, 2010 | 16 | Yes |
Popular Name: 1-[(3S)-1-ethylpyrrolidin-3-yl]-N-[(1-methyltriazol-4-yl)methyl]methanamine 1-[(3S)-1-ethylpyrrolidin-3-yl]-…
| 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) | 0.56 | 3.54 | -39.1 | 2 | 5 | 1 | 47 | 224.332 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.56 | 2.39 | -47.2 | 2 | 5 | 1 | 51 | 224.332 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.56 | 4.86 | -106.17 | 3 | 5 | 2 | 52 | 225.34 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
