| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 16th, 2011 | 16 | Yes |
Popular Name: (1S)-1-cyclopropyl-1-(4-isoquinolyl)-N-methyl-methanamine (1S)-1-cyclopropyl-1-(4-isoquino…
| 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) | 2.64 | 7.06 | -39.7 | 2 | 2 | 1 | 29 | 213.304 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.64 | 5.68 | -4.85 | 1 | 2 | 0 | 25 | 212.296 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.64 | 7.52 | -98.99 | 3 | 2 | 2 | 31 | 214.312 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
