| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 8th, 2010 | 16 | Yes |
Popular Name: (1S)-1-[2-(4-methyl-1,4-diazepan-1-yl)thiazol-5-yl]ethanamine (1S)-1-[2-(4-methyl-1,4-diazepan…
| 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) | -0.64 | 5.23 | -87.54 | 4 | 4 | 2 | 48 | 242.392 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.64 | 2.95 | -5.46 | 2 | 4 | 0 | 45 | 240.376 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.64 | 4.9 | -38.36 | 3 | 4 | 1 | 47 | 241.384 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.64 | 3.28 | -43.28 | 3 | 4 | 1 | 47 | 241.384 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
