| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 27th, 2010 | 20 | Yes |
Popular Name: (1S)-N'-ethyl-N-methyl-1-phenyl-N'-(2-thienylmethyl)propane-1,3-diamine (1S)-N'-ethyl-N-methyl-1-phenyl-…
| 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) | 2.75 | 8.37 | -36.12 | 2 | 2 | 1 | 20 | 289.468 | 8 | ↓ |
| Hi High (pH 8-9.5) | 2.75 | 7.25 | -3 | 1 | 2 | 0 | 15 | 288.46 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 2.75 | 9.46 | -33.96 | 2 | 2 | 1 | 16 | 289.468 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 2.75 | 10.52 | -105.74 | 3 | 2 | 2 | 21 | 290.476 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
