| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 15th, 2011 | 17 | Yes |
Popular Name: 4-[(1S)-1-aminoethyl]-2-chloro-N-(cyclobutylmethyl)-N-methyl-aniline 4-[(1S)-1-aminoethyl]-2-chloro-N…
| 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) | 1.55 | 7.77 | -46.05 | 3 | 2 | 1 | 31 | 253.797 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.55 | 7.46 | -1.54 | 2 | 2 | 0 | 29 | 252.789 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
