| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 23rd, 2008 | 27 | Yes |
Popular Name: N-[(2R,3S)-3-AMINO-2-HYDROXY-4-PHENYLBUTYL]-4-METHOXY-2,3,6-TRIMETHYLBENZENESULFONAMIDE N-[(2R,3S)-3-AMINO-2-HYDROXY-4-P…
None
| 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) | 2.21 | 2.32 | -56.54 | 5 | 6 | 1 | 103 | 393.529 | 8 | ↓ |
| Hi High (pH 8-9.5) | 2.21 | 2.06 | -11.09 | 4 | 6 | 0 | 102 | 392.521 | 8 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 2.36e-02 g/l | DrugBank-experimental |
No pre-computed analogs available. Try a structural similarity search.
