| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 27th, 2010 | 21 | Yes |
Popular Name: (1R)-1-(4-bromophenyl)-N-ethyl-N'-methyl-N'-(2-thienylmethyl)propane-1,3-diamine (1R)-1-(4-bromophenyl)-N-ethyl-N…
| 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) | 3.56 | 8.98 | -45.02 | 2 | 2 | 1 | 20 | 368.364 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.56 | 7.96 | -3.16 | 1 | 2 | 0 | 15 | 367.356 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 3.56 | 10.28 | -38.63 | 2 | 2 | 1 | 16 | 368.364 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 3.56 | 11.31 | -124.51 | 3 | 2 | 2 | 21 | 369.372 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
