| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 29th, 2010 | 18 | Yes |
Popular Name: (1S)-1-(4-bromo-2-thienyl)-N-methyl-N-[[(2R)-tetrahydropyran-2-yl]methyl]ethane-1,2-diamine (1S)-1-(4-bromo-2-thienyl)-N-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) | 2.24 | 5.24 | -30.19 | 3 | 3 | 1 | 40 | 334.303 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.24 | 3.53 | -2.04 | 2 | 3 | 0 | 38 | 333.295 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.24 | 3.92 | -41.19 | 3 | 3 | 1 | 40 | 334.303 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.24 | 5.92 | -118.98 | 4 | 3 | 2 | 41 | 335.311 | 5 | ↓ |
