| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2008 | 17 | Yes |
Popular Name: (1S)-1-(4-bromophenyl)-N-(2-pyrrolidin-1-ylethyl)ethanamine (1S)-1-(4-bromophenyl)-N-(2-pyrr…
| 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) | 3.30 | 6.48 | -43.77 | 2 | 2 | 1 | 20 | 298.248 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.30 | 5.4 | -1.6 | 1 | 2 | 0 | 15 | 297.24 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.30 | 8.96 | -120.97 | 3 | 2 | 2 | 21 | 299.256 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.30 | 7.74 | -35.38 | 2 | 2 | 1 | 16 | 298.248 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
