| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 8th, 2010 | 19 | No |
Popular Name: N-[[5-methyl-4-(1,4-thiazepan-4-ylmethyl)-2-furyl]methyl]propan-1-amine N-[[5-methyl-4-(1,4-thiazepan-4-…
| 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) | 2.24 | 9.17 | -93.27 | 3 | 3 | 2 | 34 | 284.469 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.24 | 7.21 | -39.77 | 2 | 3 | 1 | 33 | 283.461 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
