| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 25th, 2007 | 25 | Yes |
Popular Name: N-(benzo[1,3]dioxol-5-ylmethyl)-2-(9H-purin-6-ylsulfanyl)propanamide N-(benzo[1,3]dioxol-5-ylmethyl)-…
| 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) | 1.30 | 6.19 | -18.21 | 2 | 8 | 0 | 102 | 357.395 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.30 | 5.71 | -44.83 | 1 | 8 | -1 | 100 | 356.387 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
