| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2011 | 23 | Yes |
Popular Name: (2S)-1-[4-[(5-tert-butyloxazol-2-yl)methyl]piperazin-1-yl]-3,3-dimethyl-butan-2-ol (2S)-1-[4-[(5-tert-butyloxazol-2…
| 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) | 3.16 | 3.63 | -35.13 | 2 | 5 | 1 | 54 | 324.489 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.16 | 1.43 | -5.75 | 1 | 5 | 0 | 53 | 323.481 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.16 | 3.75 | -36.96 | 2 | 5 | 1 | 54 | 324.489 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
