| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 27th, 2010 | 21 | Yes |
Popular Name: (1S)-N'-methyl-1-phenyl-N-propyl-N'-[[(2S)-tetrahydrofuran-2-yl]methyl]propane-1,3-diamine (1S)-N'-methyl-1-phenyl-N-propyl…
| 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) | 2.33 | 7.3 | -39.12 | 2 | 3 | 1 | 29 | 291.459 | 9 | ↓ |
| Mid Mid (pH 6-8) | 2.33 | 8.78 | -36.49 | 2 | 3 | 1 | 26 | 291.459 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 2.33 | 9.72 | -112.71 | 3 | 3 | 2 | 30 | 292.467 | 9 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
