| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 6th, 2010 | 20 | Yes |
Popular Name: 4-[butyl-[(3R)-1-methylpyrrolidin-3-yl]amino]-2-chloro-benzonitrile 4-[butyl-[(3R)-1-methylpyrrolidi…
| 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 | 10.31 | -49.07 | 1 | 3 | 1 | 31 | 292.834 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PRGR-2-E | Progesterone Receptor (cluster #2 Of 3), Eukaryotic | Eukaryotes | 250 | 0.46 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PRGR_HUMAN | P06401 | Progesterone Receptor, Human | 250 | 0.46 | Binding ≤ 1μM |
| PRGR_HUMAN | P06401 | Progesterone Receptor, Human | 250 | 0.46 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Nuclear Receptor transcription pathway | |
| Nuclear signaling by ERBB4 |
