In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 9th, 2010 | 20 | Yes |
Popular Name: N-[[4-[(dibutylamino)methyl]thiazol-2-yl]methyl]cyclopropanamine N-[[4-[(dibutylamino)methyl]thia…
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) | 3.44 | 9.75 | -89 | 3 | 3 | 2 | 34 | 297.512 | 11 | ↓ |
Hi High (pH 8-9.5) | 3.44 | 7.59 | -35.53 | 2 | 3 | 1 | 33 | 296.504 | 11 | ↓ |
Hi High (pH 8-9.5) | 3.44 | 8.46 | -32.61 | 2 | 3 | 1 | 29 | 296.504 | 11 | ↓ |
Hi High (pH 8-9.5) | 3.44 | 6.29 | -2.93 | 1 | 3 | 0 | 28 | 295.496 | 11 | ↓ |
No pre-computed analogs available. Try a structural similarity search.