| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 22nd, 2009 | 21 | Yes |
Popular Name: (4S)-6,8-dichloro-N-(3-pyrrolidin-1-ylpropyl)chroman-4-amine (4S)-6,8-dichloro-N-(3-pyrrolidi…
| 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) | 2.88 | 9.31 | -117.63 | 3 | 3 | 2 | 30 | 331.287 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.88 | 5.65 | -3.66 | 1 | 3 | 0 | 24 | 329.271 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.88 | 8.11 | -37.46 | 2 | 3 | 1 | 26 | 330.279 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.88 | 6.87 | -47.37 | 2 | 3 | 1 | 29 | 330.279 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
