| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 21 | Yes |
Popular Name: [3-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]sulfonylphenyl]methanamine [3-[(3R)-3-pyrrolidin-1-ylpyrrol…
| 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) | 0.96 | 3.98 | -106.06 | 4 | 5 | 2 | 69 | 311.451 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.96 | 1.6 | -55.86 | 3 | 5 | 1 | 68 | 310.443 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.96 | 3.58 | -43.08 | 3 | 5 | 1 | 68 | 310.443 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.96 | 1.2 | -8.39 | 2 | 5 | 0 | 67 | 309.435 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
