| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 25th, 2008 | 23 | No |
Popular Name: N-(diaminomethylene)-4-[(3S)-3-hydroxy-1-piperidyl]-3-methylsulfonyl-benzamide N-(diaminomethylene)-4-[(3S)-3-h…
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| 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) | -0.82 | -1.27 | -19.04 | 5 | 8 | 0 | 139 | 340.405 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SL9A1-1-E | Sodium/hydrogen Exchanger 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 65 | 0.44 | Functional ≤ 10μM |
| SL9A2-1-E | Sodium/hydrogen Exchanger 2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 65 | 0.44 | Functional ≤ 10μM |
| SL9A3-1-E | Sodium/hydrogen Exchanger 3 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 65 | 0.44 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SL9A1_RABIT | P23791 | Sodium/hydrogen Exchanger 1, Rabit | 65 | 0.44 | Functional ≤ 10μM |
| SL9A2_RABIT | P50482 | Sodium/hydrogen Exchanger 2, Rabit | 65 | 0.44 | Functional ≤ 10μM |
| SL9A3_RABIT | P26432 | Sodium/hydrogen Exchanger 3, Rabit | 65 | 0.44 | Functional ≤ 10μM |
