| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2011 | 19 | Yes |
Popular Name: (2R,3R)-1-methyl-2-(1-methylindolin-5-yl)azepan-3-amine (2R,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) | 1.77 | 6.91 | -32.69 | 3 | 3 | 1 | 34 | 260.405 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 1.77 | 4.76 | -37.25 | 3 | 3 | 1 | 34 | 260.405 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 1.77 | 7.03 | -109.88 | 4 | 3 | 2 | 35 | 261.413 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
