| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 21st, 2011 | 20 | Yes |
Popular Name: 4-amino-2-[[(3S)-3-(1-piperidyl)pyrrolidin-1-yl]methyl]phenol 4-amino-2-[[(3S)-3-(1-piperidyl)…
| 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) | 1.79 | 5.88 | -106.26 | 5 | 4 | 2 | 55 | 277.412 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.79 | 3.72 | -33.11 | 4 | 4 | 1 | 54 | 276.404 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.79 | 3.36 | -32.99 | 4 | 4 | 1 | 54 | 276.404 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
