| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 21st, 2010 | 16 | Yes |
Popular Name: (1S,3R)-3-methyl-N-[2-[(3S)-3-methylpyrrolidin-1-yl]ethyl]cyclohexanamine (1S,3R)-3-methyl-N-[2-[(3S)-3-me…
| 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) | 2.92 | 8.31 | -113.93 | 3 | 2 | 2 | 21 | 226.408 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.92 | 7.14 | -31.47 | 2 | 2 | 1 | 16 | 225.4 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.92 | 5.87 | -36.49 | 2 | 2 | 1 | 20 | 225.4 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
