| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2011 | 18 | Yes |
Popular Name: (2S,3R)-1-methyl-2-(1-methylindolin-5-yl)piperidin-3-amine (2S,3R)-1-methyl-2-(1-methylindo…
| 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) | 1.26 | 4.49 | -40.29 | 3 | 3 | 1 | 34 | 246.378 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 1.26 | 6.51 | -108.43 | 4 | 3 | 2 | 35 | 247.386 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 1.26 | 6.2 | -33.34 | 3 | 3 | 1 | 34 | 246.378 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
