| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 9th, 2011 | 15 | Yes |
Popular Name: 3- -1H-INDOLE 3- -1H-INDOLE
Find On: PubMed — Wikipedia — Google
CAS Number: 149669-53-4
| 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) | 1.49 | 4.8 | -41.85 | 3 | 3 | 1 | 36 | 202.281 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.49 | 3.5 | -4.85 | 2 | 3 | 0 | 31 | 201.273 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0353821A2; EP0353821B1; US4957916; US5015740 | IBM Patent Data |
| PUBCHEM_PATENT_ID | EP0737677A1; EP0737678A1; US5486518; US5519025 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.