| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2010 | 19 | No |
Popular Name: (3R)-N-[[2-[(isobutylamino)methyl]thiazol-4-yl]methyl]-N-methyl-tetrahydrothiophen-3-amine (3R)-N-[[2-[(isobutylamino)methy…
| 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) | 1.97 | 8.28 | -97.42 | 3 | 3 | 2 | 34 | 301.525 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.97 | 4.58 | -5.04 | 1 | 3 | 0 | 28 | 299.509 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.97 | 5.95 | -40.44 | 2 | 3 | 1 | 33 | 300.517 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
