| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 21 | Yes |
Popular Name: (3R,4S)-3-[(3R)-3-(diethylamino)pyrrolidin-1-yl]chroman-4-ol (3R,4S)-3-[(3R)-3-(diethylamino)…
| 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) | 1.91 | 4.26 | -35.68 | 2 | 4 | 1 | 37 | 291.415 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.91 | 2 | -4.65 | 1 | 4 | 0 | 36 | 290.407 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.91 | 4.01 | -36.02 | 2 | 4 | 1 | 37 | 291.415 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.91 | 6.29 | -107.78 | 3 | 4 | 2 | 38 | 292.423 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
