| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 27th, 2010 | 20 | Yes |
Popular Name: (1S)-1-(4-bromophenyl)-N,N'-dimethyl-N'-(2-thienylmethyl)propane-1,3-diamine (1S)-1-(4-bromophenyl)-N,N'-dime…
| 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) | 3.19 | 8.13 | -45.88 | 2 | 2 | 1 | 20 | 354.337 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.19 | 7.01 | -3.62 | 1 | 2 | 0 | 15 | 353.329 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.19 | 9.34 | -42.1 | 2 | 2 | 1 | 16 | 354.337 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.19 | 10.48 | -124.08 | 3 | 2 | 2 | 21 | 355.345 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
