| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2011 | 21 | Yes |
Popular Name: (2S,3S)-1-isobutyl-2-(1-methylindolin-5-yl)piperidin-3-amine (2S,3S)-1-isobutyl-2-(1-methylin…
| 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) | 2.38 | 8.68 | -27.85 | 3 | 3 | 1 | 34 | 288.459 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.38 | 9.04 | -111.08 | 4 | 3 | 2 | 35 | 289.467 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
