| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 10th, 2012 | 13 | Yes |
Popular Name: 9H-pyrido[3,4-b]indole 9H-pyrido[3,4-b]indole
Find On: PubMed — Wikipedia — Google
CAS Number: 244-63-3
| 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) | 1.65 | 4.62 | -87.04 | 2 | 2 | 2 | 28 | 170.215 | 0 | ↓ |
| Mid Mid (pH 6-8) | 1.65 | 4.17 | -29.72 | 1 | 2 | 1 | 27 | 169.207 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US4945163 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.