| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 25th, 2011 | 19 | Yes |
Popular Name: (S)-(2-ethylpyrazol-3-yl)-(1-isoquinolyl)methanamine (S)-(2-ethylpyrazol-3-yl)-(1-iso…
| 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) | 2.31 | 4.65 | -46.75 | 3 | 4 | 1 | 58 | 253.329 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.31 | 5.49 | -32.15 | 3 | 4 | 1 | 58 | 253.329 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.31 | 4.3 | -9.07 | 2 | 4 | 0 | 57 | 252.321 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
