| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 18th, 2011 | 23 | Yes |
Popular Name: (2S)-2-amino-1-[4-hydroxy-4-(hydroxymethyl)-1-piperidyl]-3-(1H-indol-3-yl)propan-1-one (2S)-2-amino-1-[4-hydroxy-4-(hyd…
| 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) | -0.32 | -0.06 | -43.63 | 6 | 6 | 1 | 104 | 318.397 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.32 | -0.36 | -12.05 | 5 | 6 | 0 | 103 | 317.389 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
