| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 3rd, 2008 | 24 | Yes |
Popular Name: 4-[[[(2S)-1-ethylpyrrolidin-2-yl]methyl-(2-pyridylmethyl)amino]methyl]phenol 4-[[[(2S)-1-ethylpyrrolidin-2-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) | 2.29 | 6.63 | -32.83 | 2 | 4 | 1 | 41 | 326.464 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.29 | 7.41 | -51.65 | 1 | 4 | 0 | 44 | 325.456 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.29 | 4.3 | -5.91 | 1 | 4 | 0 | 40 | 325.456 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.29 | 8.78 | -37.85 | 2 | 4 | 1 | 41 | 326.464 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.29 | 9.08 | -95.14 | 3 | 4 | 2 | 42 | 327.472 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.