| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 19 | Yes |
Popular Name: (3R,4S)-3-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]chroman-4-ol (3R,4S)-3-[(3R)-3-(dimethylamino…
| 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) | 1.16 | 2.85 | -35.17 | 2 | 4 | 1 | 37 | 263.361 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.16 | 0.58 | -5.17 | 1 | 4 | 0 | 36 | 262.353 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.16 | 2.98 | -38.13 | 2 | 4 | 1 | 37 | 263.361 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 1.16 | 5.24 | -107.3 | 3 | 4 | 2 | 38 | 264.369 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
