| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 17 | Yes |
Popular Name: (1R,2R)-1-(azepan-1-yl)-1-(3-methyl-2-thienyl)propan-2-amine (1R,2R)-1-(azepan-1-yl)-1-(3-met…
| 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) | 2.82 | 5.16 | -39.75 | 3 | 2 | 1 | 31 | 253.435 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.82 | 6.45 | -28.59 | 3 | 2 | 1 | 30 | 253.435 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.82 | 4.86 | -1.96 | 2 | 2 | 0 | 29 | 252.427 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.82 | 6.78 | -106.62 | 4 | 2 | 2 | 32 | 254.443 | 3 | ↓ |
