In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 12th, 2010 | 19 | Yes |
Popular Name: (3R)-8-chloro-5-methoxy-N,N-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine (3R)-8-chloro-5-methoxy-N,N-dime…
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) | 3.47 | 7.78 | -39.07 | 2 | 3 | 1 | 29 | 279.791 | 2 | ↓ |
Hi High (pH 8-9.5) | 3.47 | 5.18 | -5.6 | 1 | 3 | 0 | 28 | 278.783 | 2 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
PUBCHEM_PATENT_ID | US3959309; US4062864; US4172834; US4257952 | IBM Patent Data |