| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 22nd, 2009 | 21 | Yes |
Popular Name: (1S)-1-(2-tert-butyl-4-methyl-thiazol-5-yl)-N-(2-morpholinoethyl)ethanamine (1S)-1-(2-tert-butyl-4-methyl-th…
| 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) | 2.76 | 4.63 | -43.66 | 2 | 4 | 1 | 42 | 312.503 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.76 | 3.43 | -5.35 | 1 | 4 | 0 | 37 | 311.495 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.76 | 5.7 | -40.08 | 2 | 4 | 1 | 39 | 312.503 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.76 | 6.9 | -124.21 | 3 | 4 | 2 | 43 | 313.511 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
