| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2005 | 23 | No |
145-13-1; 3beta-Hydroxypregn-5-en-20-one; 5-Pregnen-3beta-ol-20-one; C01953; Pregnenolone
145-13-1; D00143; Pregnenolone (JAN/INN)
145-13-1; Pregnenolone; Prestwick_859
3beta-hydroxypregn-5-en-20-one
| 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) | 3.99 | 8.24 | -6.49 | 1 | 2 | 0 | 37 | 316.485 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 1.36e-02 g/l | DrugBank-experimental |
| MP | 190 | TCI |
| Mp [°C] | 190 - 193 | Acros Organics |
| UniProt Database Links | 3BHS1_HUMAN; 3BHS_MYCTU; 5BPOR_DIGLA; CP11A_BOVIN; CP11A_CAPHI; CP11A_DASAM; CP11A_HORSE; CP11A_HUMAN; CP11A_MACFA; CP11A_MESAU; CP11A_MOUSE; CP11A_ONCMY; CP11A_PIG; CP11A_RABIT; CP11A_RAT; CP11A_SHEEP; CP17A_BISBI; CP17A_BOVIN; CP17A_CAPHI; CP17A_CAVPO | ChEBI |
| Patent Database Links | EP1752155; US2007212392; US2008014642; US2008171728; WO2007103162 | ChEBI |
| Target | Estrogen/progestogen Receptor | Selleck Chemicals |
| Reactome Database Links | REACT_10035; REACT_10063; REACT_6805; REACT_9989; REACT_9993 | ChEBI |
| S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
| Description | Species |
|---|---|
| Androgen biosynthesis | |
| Cytosolic sulfonation of small molecules | |
| Endogenous sterols | |
| Glucocorticoid biosynthesis | |
| Mineralocorticoid biosynthesis | |
| Pregnenolone biosynthesis |
