| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 13th, 2010 | 23 | Yes |
Popular Name: N-[(2S)-5-(6-methyl-3-pyridyl)indan-2-yl]propane-2-sulfonamide N-[(2S)-5-(6-methyl-3-pyridyl)in…
| 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) | 2.75 | 6.37 | -14.04 | 1 | 4 | 0 | 59 | 330.453 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.75 | 6.75 | -42.37 | 2 | 4 | 1 | 60 | 331.461 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z102164-1-O | Liver Microsomes (cluster #1 Of 1), Other | Other | 600 | 0.38 | ADME/T ≤ 10μM |
| Z102164-1-O | Liver Microsomes (cluster #1 Of 1), Other | Other | 700 | 0.37 | ADME/T ≤ 10μM |
| Z102178-1-O | Liver Microsomes (cluster #1 Of 1), Other | Other | 2000 | 0.35 | ADME/T ≤ 10μM |
| Z102178-1-O | Liver Microsomes (cluster #1 Of 1), Other | Other | 3500 | 0.33 | ADME/T ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z102178 | Z102178 | Liver Microsomes | 2000 | 0.35 | ADME/T ≤ 10μM |
| Z102164 | Z102164 | Liver Microsomes | 700 | 0.37 | ADME/T ≤ 10μM |
