| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 21st, 2011 | 19 | Yes |
Popular Name: 3-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyl-isoquinolin-1-amine 3-(aminomethyl)-N-(cyclopropylme…
| 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) | 3.16 | 8 | -42.42 | 3 | 3 | 1 | 44 | 256.373 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.16 | 7.6 | -5.29 | 2 | 3 | 0 | 42 | 255.365 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.16 | 8.01 | -22.18 | 3 | 3 | 1 | 43 | 256.373 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
