| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 21st, 2011 | 18 | Yes |
Popular Name: 3-methyl-4-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]aniline 3-methyl-4-[(3S)-3-pyrrolidin-1-…
| 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) | 2.04 | 7.72 | -33.79 | 3 | 3 | 1 | 34 | 246.378 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.04 | 5.41 | -2.96 | 2 | 3 | 0 | 32 | 245.37 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 2.04 | 7.71 | -100.59 | 4 | 3 | 2 | 35 | 247.386 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 2.04 | 7.58 | -84.9 | 4 | 3 | 2 | 35 | 247.386 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
