| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 21 | Yes |
Popular Name: Benzoylecgonine Benzoylecgonine
Find On: PubMed — Wikipedia — Google
CAS Number: 519-09-5
(1R,2R,3S,5S)-3-(Benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid
| 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) | 2.25 | 2.18 | -39.56 | 1 | 5 | 0 | 70 | 289.331 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 3.82e+00 g/l | DrugBank-experimental |
| UniProt Database Links | CH10_MYCTU; CY24B_HUMAN; EST1_HUMAN; I12R1_HUMAN; IL12B_HUMAN; INGR1_HUMAN; INGR2_HUMAN; LITAF_HUMAN; MAGD2_HUMAN; MMAA3_MYCBO; MMPL8_MYCBP; MOAR1_MYCBP; MP70_MYCBO; MPRA_MYCBO; MPRB_MYCBO; PAPA1_MYCBP; PAPA2_MYCBP; PHAS_MYCBP; PKS15_MYCTU; PKS1_MYCTU; PP | ChEBI |
