| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 3rd, 2005 | 24 | Yes |
Popular Name: 3-{[(4-methylphenyl)sulfonyl]amino}propyl pyridin-4-ylcarbamate 3-{[(4-methylphenyl)sulfonyl]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) | 1.99 | 2.75 | -15.11 | 2 | 7 | 0 | 97 | 349.412 | 8 | ↓ |
| Hi High (pH 8-9.5) | 1.40 | 0.76 | -46.58 | 1 | 7 | -1 | 104 | 348.404 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 1.99 | 3.21 | -44.51 | 3 | 7 | 1 | 99 | 350.42 | 8 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 3.08e-02 g/l | DrugBank-experimental |
No pre-computed analogs available. Try a structural similarity search.