| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 23rd, 2009 | 31 | Yes |
Popular Name: N-butyl-1-hexyl-5-hydroxy-2-methyl-4-(1-piperidylmethyl)indole-3-carboxamide N-butyl-1-hexyl-5-hydroxy-2-meth…
| 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) | 6.06 | 12.31 | -33.15 | 3 | 5 | 1 | 59 | 428.641 | 11 | ↓ |
| Hi High (pH 8-9.5) | 6.06 | 12.9 | -30.91 | 2 | 5 | 0 | 62 | 427.633 | 11 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0299076A1; US4874759 | IBM Patent Data |
