| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 21 | Yes |
Popular Name: N-methyl-1-[3-[[(3S)-3-(1-piperidyl)pyrrolidin-1-yl]methyl]phenyl]methanamine N-methyl-1-[3-[[(3S)-3-(1-piperi…
| 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 | 8.01 | -83.21 | 3 | 3 | 2 | 24 | 289.467 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.33 | 8.3 | -96.13 | 3 | 3 | 2 | 24 | 289.467 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.33 | 5.85 | -40.04 | 2 | 3 | 1 | 23 | 288.459 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.33 | 6.86 | -34.1 | 2 | 3 | 1 | 20 | 288.459 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.33 | 10.46 | -184.72 | 4 | 3 | 3 | 25 | 290.475 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
