| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 8th, 2010 | 16 | No |
Popular Name: [2-methyl-5-(1,4-thiazepan-4-ylmethyl)-3-furyl]methanamine [2-methyl-5-(1,4-thiazepan-4-ylm…
| 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) | 0.99 | 5.68 | -98.94 | 4 | 3 | 2 | 45 | 242.388 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.99 | 5.28 | -35.25 | 3 | 3 | 1 | 44 | 241.38 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
