| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 27th, 2010 | 19 | Yes |
Popular Name: (1S)-1-(4-bromophenyl)-N'-methyl-N'-(2-thienylmethyl)propane-1,3-diamine (1S)-1-(4-bromophenyl)-N'-methyl…
| 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) | 1.83 | 6.43 | -52.04 | 3 | 2 | 1 | 31 | 340.31 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.83 | 6.12 | -3.55 | 2 | 2 | 0 | 29 | 339.302 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.83 | 8.75 | -130.65 | 4 | 2 | 2 | 32 | 341.318 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.83 | 8.41 | -42.03 | 3 | 2 | 1 | 30 | 340.31 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
