| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2010 | 15 | No |
Popular Name: (3R)-N-[[2-(aminomethyl)thiazol-4-yl]methyl]-N-methyl-tetrahydrothiophen-3-amine (3R)-N-[[2-(aminomethyl)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) | 0.47 | 3.8 | -99.76 | 4 | 3 | 2 | 45 | 245.417 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.47 | 1.11 | -7.52 | 2 | 3 | 0 | 42 | 243.401 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.47 | 3.39 | -38.93 | 3 | 3 | 1 | 43 | 244.409 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.47 | 1.51 | -44.85 | 3 | 3 | 1 | 44 | 244.409 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
