| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 29th, 2008 | 22 | No |
Popular Name: Tegaserod,Maleate Tegaserod,Maleate
Find On: PubMed — Wikipedia — Google
CAS Number: 189188-57-6
| 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) | 2.92 | 7.55 | -52.96 | 5 | 6 | 1 | 86 | 302.402 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.05 | 7.58 | -17.18 | 4 | 6 | 0 | 82 | 301.394 | 9 | ↓ |
| Hi High (pH 8-9.5) | 3.05 | 7.47 | -16.8 | 4 | 6 | 0 | 82 | 301.394 | 9 | ↓ |
| Hi High (pH 8-9.5) | 3.05 | 7.64 | -18.73 | 4 | 6 | 0 | 82 | 301.394 | 9 | ↓ |
| Hi High (pH 8-9.5) | 3.05 | 7.52 | -19.14 | 4 | 6 | 0 | 82 | 301.394 | 9 | ↓ |
| Mid Mid (pH 6-8) | 3.05 | 7.59 | -52.74 | 5 | 6 | 1 | 84 | 302.402 | 9 | ↓ |
| Mid Mid (pH 6-8) | 3.05 | 7.53 | -55.52 | 5 | 6 | 1 | 84 | 302.402 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 2.92 | 8.01 | -97.47 | 6 | 6 | 2 | 87 | 303.41 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 2.92 | 7.95 | -103.25 | 6 | 6 | 2 | 87 | 303.41 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 2.92 | 8.04 | -96.67 | 6 | 6 | 2 | 87 | 303.41 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 2.92 | 7.99 | -102.98 | 6 | 6 | 2 | 87 | 303.41 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.