In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 23rd, 2009 | 34 | Yes |
Popular Name: [5-hydroxy-2-methyl-1-phenethyl-4-(1-piperidylmethyl)indol-3-yl]-morpholino-methanone [5-hydroxy-2-methyl-1-phenethyl-…
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) | 3.60 | 12.33 | -34.05 | 2 | 6 | 1 | 59 | 462.614 | 6 | ↓ |
Hi High (pH 8-9.5) | 3.60 | 12.9 | -30 | 1 | 6 | 0 | 62 | 461.606 | 6 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
PUBCHEM_PATENT_ID | EP0299076A1; US4874759 | IBM Patent Data |