| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 16th, 2011 | 16 | Yes |
Popular Name: (1S,2R)-2-[[cyclopropylmethyl(ethyl)amino]methyl]cycloheptanamine (1S,2R)-2-[[cyclopropylmethyl(et…
| 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) | 2.74 | 7.5 | -114.34 | 4 | 2 | 2 | 32 | 226.408 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.74 | 5.04 | -43.05 | 3 | 2 | 1 | 31 | 225.4 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.74 | 7.22 | -31.12 | 3 | 2 | 1 | 30 | 225.4 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
