In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 2nd, 2009 | 21 | Yes |
Popular Name: [4-(cyclopropylmethyl)piperazin-1-yl]-(1H-indol-3-yl)methanone [4-(cyclopropylmethyl)piperazin-…
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) | 1.82 | 8.5 | -49.73 | 2 | 4 | 1 | 41 | 284.383 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.82 | 6.29 | -13.64 | 1 | 4 | 0 | 39 | 283.375 | 3 | ↓ |
Note Type | Comments | Provided By |
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PUBCHEM_PATENT_ID | EP0922042A1; WO1998006715A1 | IBM Patent Data |