| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2010 | 19 | Yes |
Popular Name: (1S)-N-methyl-1-phenyl-N-[[(2S)-tetrahydropyran-2-yl]methyl]propane-1,3-diamine (1S)-N-methyl-1-phenyl-N-[[(2S)-…
| 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) | 1.88 | 4.75 | -43.16 | 3 | 3 | 1 | 40 | 263.405 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.88 | 6.81 | -107.27 | 4 | 3 | 2 | 41 | 264.413 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
