| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 16th, 2009 | 20 | Yes |
Popular Name: Isothipendyl Isothipendyl
1225-60-1; Andantol (TN); D01143; Isothipendyl hydrochloride (JAN)
482-15-5; Actapront (TN); D08091; Isothipendyl (INN)
| 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) | 3.54 | 10.2 | -37.12 | 1 | 3 | 1 | 22 | 286.424 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.54 | 7.77 | -6.98 | 0 | 3 | 0 | 21 | 285.416 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 1.40e-01 g/l | DrugBank-approved |
