| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 21st, 2011 | 19 | No |
Popular Name: 3-(chloromethyl)-N-(cyclopropylmethyl)-N-ethyl-isoquinolin-1-amine 3-(chloromethyl)-N-(cyclopropylm…
| 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) | 4.55 | 11.24 | -6.04 | 0 | 2 | 0 | 16 | 274.795 | 5 | ↓ |
| Mid Mid (pH 6-8) | 4.55 | 11.65 | -24.41 | 1 | 2 | 1 | 17 | 275.803 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
