In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 9th, 2010 | 16 | Yes |
Popular Name: N-[[2-(methylaminomethyl)thiazol-4-yl]methyl]-N-propyl-cyclopropanamine N-[[2-(methylaminomethyl)thiazol…
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) | 1.45 | 5.94 | -86.41 | 3 | 3 | 2 | 34 | 241.404 | 7 | ↓ |
Hi High (pH 8-9.5) | 1.45 | 4.5 | -30.79 | 2 | 3 | 1 | 29 | 240.396 | 7 | ↓ |
Hi High (pH 8-9.5) | 1.45 | 2.46 | -3.81 | 1 | 3 | 0 | 28 | 239.388 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.