| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2010 | 20 | Yes |
Popular Name: 2-[[5-[4-[(1S)-1-methylpropyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic 2-[[5-[4-[(1S)-1-methylpropyl]pi…
| 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) | 1.82 | 7.95 | -71.75 | 1 | 6 | 0 | 74 | 316.452 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.82 | 6.1 | -44.18 | 0 | 6 | -1 | 72 | 315.444 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
