| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 8th, 2010 | 21 | Yes |
Popular Name: N-[[4-(isoindolin-2-ylmethyl)thiazol-2-yl]methyl]-2-methyl-propan-1-amine N-[[4-(isoindolin-2-ylmethyl)thi…
| 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 | 9.29 | -95.76 | 3 | 3 | 2 | 34 | 303.475 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.31 | 5.31 | -5.83 | 1 | 3 | 0 | 28 | 301.459 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.31 | 8.07 | -35.88 | 2 | 3 | 1 | 29 | 302.467 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
