In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 24th, 2009 | 36 | Yes |
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) | 2.78 | 3.28 | -282.45 | 11 | 7 | 3 | 134 | 495.688 | 15 | ↓ |
Hi High (pH 8-9.5) | 2.78 | 1.26 | -59.84 | 9 | 7 | 1 | 124 | 493.672 | 15 | ↓ |
Hi High (pH 8-9.5) | 2.78 | 2.18 | -137.29 | 10 | 7 | 2 | 129 | 494.68 | 15 | ↓ |
Mid Mid (pH 6-8) | 2.78 | 3.27 | -258.4 | 11 | 7 | 3 | 134 | 495.688 | 15 | ↓ |
Mid Mid (pH 6-8) | 2.78 | 2.89 | -123.16 | 10 | 7 | 2 | 132 | 494.68 | 15 | ↓ |
Mid Mid (pH 6-8) | 2.78 | 1.76 | -147.78 | 10 | 7 | 2 | 129 | 494.68 | 15 | ↓ |
Lo Low (pH 4.5-6) | 2.78 | 4.37 | -458.69 | 12 | 7 | 4 | 138 | 496.696 | 15 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
OPRM-1-E | Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 138 | 0.27 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
OPRM_RAT | P33535 | Mu Opioid Receptor, Rat | 138 | 0.27 | Binding ≤ 1μM |
OPRM_RAT | P33535 | Mu Opioid Receptor, Rat | 138 | 0.27 | Binding ≤ 10μM |
Description | Species |
---|---|
G alpha (i) signalling events | |
G-protein activation | |
Opioid Signalling | |
Peptide ligand-binding receptors |