| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2010 | 19 | Yes |
Popular Name: (2S)-N1-methyl-N1-(1-methyl-4-piperidyl)-2-phenyl-propane-1,2-diamine (2S)-N1-methyl-N1-(1-methyl-4-pi…
| 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) | 2.20 | 5.53 | -30.8 | 3 | 3 | 1 | 34 | 262.421 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.20 | 5.95 | -35.21 | 3 | 3 | 1 | 34 | 262.421 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.20 | 6.18 | -89.87 | 4 | 3 | 2 | 35 | 263.429 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.20 | 7.84 | -100.44 | 4 | 3 | 2 | 35 | 263.429 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
