| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 28th, 2011 | 18 | Yes |
Popular Name: 2-bromo-4-[[[(3S)-1-ethylpyrrolidin-3-yl]methylamino]methyl]phenol 2-bromo-4-[[[(3S)-1-ethylpyrroli…
| 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) | 2.92 | 4.85 | -35.79 | 3 | 3 | 1 | 37 | 314.247 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.92 | 5.61 | -61.04 | 2 | 3 | 0 | 40 | 313.239 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.92 | 3.7 | -49.1 | 3 | 3 | 1 | 40 | 314.247 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.92 | 6.16 | -110.6 | 4 | 3 | 2 | 41 | 315.255 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
