| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 4th, 2009 | 33 | Yes |
Popular Name: 4-[[(cyclopropylmethyl-ethyl-amino)-dihydroxy-methyl-BLAHyl]amino]-4-oxo-butanoic 4-[[(cyclopropylmethyl-ethyl-ami…
| 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) | 1.86 | 5.95 | -82.74 | 4 | 8 | 0 | 123 | 458.555 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 1.86 | 4.83 | -50.19 | 5 | 8 | 1 | 121 | 459.563 | 8 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50512-1-O | Cavia Porcellus (cluster #1 Of 7), Other | Other | 56 | 0.31 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50512 | Z50512 | Cavia Porcellus | 56 | 0.31 | Functional ≤ 10μM |
