| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 16th, 2008 | 22 | No |
Popular Name: tegaserod tegaserod
| 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) | 2.33 | 5.57 | -58.62 | 6 | 6 | 1 | 95 | 302.402 | 9 | ↓ |
| Mid Mid (pH 6-8) | 2.33 | 5.67 | -20.15 | 5 | 6 | 0 | 93 | 301.394 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 2.33 | 6.02 | -105.65 | 7 | 6 | 2 | 96 | 303.41 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 2.33 | 6.07 | -100.31 | 7 | 6 | 2 | 96 | 303.41 | 9 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 1.50e-01 g/l | DrugBank-withdrawn |
| ALOGPS_SOLUBILITY | 2.88e-02 g/l | DrugBank-withdrawn |
No pre-computed analogs available. Try a structural similarity search.