| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 5th, 2010 | 18 | Yes |
Popular Name: (1S)-N-[(4,5-dimethyloxazol-2-yl)methyl]-1-(2-thienyl)butan-1-amine (1S)-N-[(4,5-dimethyloxazol-2-yl…
| 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) | 3.39 | 5.63 | -28.14 | 2 | 3 | 1 | 39 | 265.402 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.39 | 6.68 | -105.12 | 3 | 3 | 2 | 44 | 266.41 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.39 | 4.2 | -7.13 | 1 | 3 | 0 | 38 | 264.394 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.39 | 5.62 | -35.84 | 2 | 3 | 1 | 43 | 265.402 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
