| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 6th, 2013 | 17 | Yes |
Popular Name: 3-ISONIPECOTYLINDOLE 3-ISONIPECOTYLINDOLE
Find On: PubMed — Wikipedia — Google
CAS Number: 5275-02-5
| 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) | 1.24 | 5.16 | -95.4 | 3 | 3 | 2 | 48 | 230.311 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.24 | 3.82 | -37.26 | 2 | 3 | 1 | 43 | 229.303 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.