| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 29th, 2010 | 27 | Yes |
Popular Name: emetan emetan
| 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) | 4.40 | 13.75 | -110.86 | 3 | 2 | 2 | 21 | 362.561 | 3 | ↓ |
| Hi High (pH 8-9.5) | 4.40 | 10.34 | -3.94 | 1 | 2 | 0 | 15 | 360.545 | 3 | ↓ |
| Mid Mid (pH 6-8) | 4.40 | 12.5 | -39.23 | 2 | 2 | 1 | 16 | 361.553 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.